MOL2NET'19, Conference on Molecular, Biomedical & Computational Sciences and Engineering, 5th ed.
MOL2NET'19, Conference on Molecular, Biomedical & Computational Sciences and Engineering, 5th ed.
Part of the MOL2NET, Conference Series on Molecular, Biomedical & Computational Sciences and Engineering series
Medicinal Chemistry, Pharmaceutical Sciences, Nanotechnology, Materials Science, Complex Networks, Artificial Intelligence, Bioinformatics, Cheminformatics, Biomedical Sciences
MOL2NET 2019 Closed, 2020 Comments, 2021 Open!!!
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< All Year, No Cost, Online, USA-EU Workshops>
Welcome from the Chair
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MOL2NET Contact Email: USEDAT: USA-Europe Data Analysis Training Program (2019 ed.)
Experimental Data Recording, Computational Data Analysis, Hands-on Training Courses
PhD, MSc, Degree Thesis Tutorship; MSCA Secondments; Summer Internships
USA & Europe Schools, Conferences, Workshops, Enrollment Free of Charge in almost all courses
Welcome From Chairs
Headquarters and Supporters
MOL2NET runs both online and/or in person workshops in host universities worldwide and at the SciForum platform maintained by the editorial MDPI, Basel, Switzerland. The Scientific Headquarters (HQs) of this conference series are in the Faculty of Science and Technology, University of Basque Country (UPV/EHU), Biscay. However, the idea of this multidisciplinary conference emerged from the melting pot formed as the result of multiple collaborations of professors from many centers worldwide. Locally, the founders and strongest supporters of the conference are professors endowed by IKERBASQUE, Basque Foundation for Sciences, professors from the two departments Department of Organic Chemistry I and Department of Organic Chemistry II of the University of Basque Country (UPV/EHU), and professors from the Department of Computer Sciences of the University of Coruña (UDC).
Internationally, professors from Dept of Biological Chemistry & Molecular Pharmacology (BCMP), Harvard Medical School, USA; the Center for the Study of Biological Complexity of the Virginia Commonwealth University (VCU), USA; the Natural Resources Research Institute, of the University of Minnesota, USA; CNRS-Université Paris-Sud, Paris, France, and other institutions are also founders and/or supporters of this conference, please see full committees lists [Honor Committee] [Co-Chairs Committee] [Scientific Committee (Abroad)] [Scientific Committee (Local)] and [MOL2NET-IKERBASQUE Staff].
Conference Lemma
The acronym MOL2NET summarizes the running title of this conference: FROM MOLECULES TO NETWORKS. This lemma is inspired by the possibility of spreading the knowledge about multiple topics by promoting multidisciplinary collaborations in science with conferences including topics ranging from quantum world to large social networks. In this sense, the spirit of this conference is in consonance with the lemma EMAN TA ZABAL ZAZU (Give and extend knowledge). This anthem from the 19th century is written in Basque language (Euskera) and is used now a days as the official motto of the University of Basque Country (UPV/EHU).
USEDAT Summer School
Contents Veracity & Authors Liability
MOL2NET conference is an online platform for early publication of preliminary results. In this sense, most of MOL2NET workshops do not preform peer-review of materials to be published by external referees. Consequently, the modality of publication is ore similar to a pre-print server where authors can post early versions of their results to obtain feedback from the community. In addition, authors can upload also short communications with post-publication discussion of results already published in other media. In all cases, the authors are personally responsible, to perform a similarity checking , ensure veracity of contents, and carry out a proper citation of previous works.
In concordance, the members of MOL2NET committee are not responsible of aspects like veracity, similarity, copyright, etc. in this publishing modality. Consequently, the opinions expressed on the communications are not necessarily coincident to the opinions of the members of the committees. In this sense, we strongly recommend the authors to use online text-similarity checking services, such as Turnitin, etc., if possible. These tools may help authors to avoid any form of plagiarism or copyright violation. The authors may be requested to modify the communication (re-write their texts) previous or posterior to publication in the case that high similarity, veracity, or other problems are detected and reported to the committee. In these cases, the manuscript could be put on standby or withdrawn temporarily until the authors re-submit the proper version. The authors are also allowed to submit short reviews, comments, letters, or discussions of papers already published if they guarantee sufficient difference to previous public contents.
Sessions & Workshops
You can participate both online or in person (face-to-face) in some of the workshops we organize in different universities worldwide (see sessions in the conference menu). Publication of all communications of the workshops will be online via the platform SciForum. We welcome proposals for organization of workshops in different universities. Please, do not hesitate to contact conference chairperson and/or scientific committee presidents. See also a list of workshops running this year.
01. USEDAT-05: USA-Europe Data Analysis Training Bilbao, Spain-Cambridge, UK-Miami, USA, 2019
02. USINEWS-03: US-IN-EU Worldwide Science Workshop Series, UMN, Duluth, USA, 2019
03. NIXMSM-05: North-Ibero-American Workshop on Exp., Model., and Simul. Methods, Valencia, Bilbao, Spain-Miami, USA, 2019
04. ICWM-01: I International Conference and Workshop: Microbiota, UDC, Coruña, Spain, 2019
05. CHEMINFOUNC-01: Chemoinformatics Workshop, UNC Chape Hill, USA, 2019
06. NANOMATJND-03: JSU-NDSU Nanotech. & Materials Science Workshop, Jackson & Fargo, USA, 2019
07. CHEMBIOMOL-05: Chem. Biol. & Med. Chem. Workshop, Bilbao-Lisboa, Portugal-Rostock, Germany, Galveston, Texas, USA, 2019
08. MODEC-04: Nat. Prod. & Agro-Indust. Proc. in Amazon, UEA, Puyo, Ecuador, 2019
09. LAWSCI-03: PANELFIT H2020 Law & Tech. Challenges, UPV/EHU, Bilbao, Spain, 2019
10. UDLABIOTECH-01: I International Biotechnology Congress, UDLA, Quito, Ecuador, 2019
MOL2NET Steps for Participation
(0) Register, Sign in/Login, to Sciforum platform [Sciforum login]
(1) Submit the title and abstract, select a section or workshop (do not upload paper here) [Submit New Abstract]
(2) Wait for Sciforum abstract acceptance email, follow the link, and/or login to upload paper, doc and pdf format
(3) Download template doc to prepare your communication, for general sessions: [MOL2NET 2019 Template.doc] , or use the
for other workshops: [BioChemPhys Template], [WRSAMC template] , [MODEC 2019 Template.doc], [AWP-04 Template]
(4) Wait for paper acceptance and publication emails (follow link to proofread your paper) (Asap after upload)
(5) Communicate with chairpersons if corrections are necessary, including past editions (All the year)
(6) Log in to post comments, questions, or answers in a section or one of the workshops
(7) Contact chairpersons if you need attendance certificate for conference and/or workshops (All the year).
Conference, School, and Workshops Schedule
General Schedule: MOL2NET International Conference Series on Multidisciplinary Sciences, MDPI Sciforum, Basel, Switzerland has online and/or in person workshops (>10) associated. The conference usually runs online at the online platform SciForum maintained by the editorial MDPI, Basel, Switzerland. The platform is open on a year-round basis almost all the days of the year in course. We have this modality for practical reasons; e.g., accommodation of many workshops in different dates along the year, flexible reception of communications, etc.
Submission and Publication of communications: As we mentioned before, in the practice, the online platform is open at the beginning of the year in course and continue open all the year for submissions of communications. However, the associated workshops may open in different dates along the year (see specific workshop pages). Submission of papers to all workshops is open until the last days of the year in course or the first days of the following. The publication of communications is continuous all the year upon acceptance.
Schedule for for MOL2NET Workshops Online participation: You can participate online in all MOL2NET workshops all the year uploading your communication directly by Sciforum platform. In addition, after publication of papers is closed we open the online platform for online participation. The authors will be able to post online comments and/or answers to comments in this workshop/section and also in the other general sections and/or >10 international workshops of the MOL2NET conference (many of them also run both online and in person). The participants are entitled to receive participation certificates for MOL2NET conference and all the workshops they participate upon request to the respective chairpersons. See committees of MOL2NET and each workshop.
Schedule for MOL2NET Workshops in Person Participation: Many of the workshops associated to MOL2NET are going to be held also in person (face-to-face) in different universities of USA, Spain, Italy, Mexico, Chile, etc. This in person workshops have specific schedules in parallel to their online versions. Please, go to the homepages of these workshops and/or contact their chairpersons for further details.
Schedule for USEDAT Summer School participation: The schedule of the different USEDAT courses varies in different universities along the year, even when many of them are in summer season, some of them run all the year. If you are interested to enroll in one of the courses do not hesitate to contact directly USEDAT coordinator at: [email protected]
Note for participants: MOL2NET conference runs both online (general sections) and/or in person (associated workshops). No physical presence is needed for online participation saving traveling costs. We accept experimental works, theoretical works, or experimental-theoretic works in the areas mentioned. Proceedings will be Published Online, Open Access, and Totally Free of Charges (no cost). For details about in person (face-to-face) participation on associated workshops contact the respective members of the local committees. USEDAT School workshop also runs online however must of the hand-on training courses run in person.
Types of Communications
Before to submit your communication recommend to download and use the [Template File] to write your communication; we strongly recommend you to read carefully the following information about publication model, copyright, authors responsibilities, etcFirstly, be aware that the works published here belongs to two main modalities preliminary communications or comments on previous works.
Research Preprints. These are short communications of unpublished results but they are not post-print journal papers. In this sense, committee and/or external reviewers check only scope and apparent scientific soundness. They have the same editorial process than for an online Preprint service. Therefore, all works receive doi number and are indexed in databases (GoogleScholar, Publons, etc.).The works may receive also comments from registered participants (public post-publication review). The authors are encouraged to submit their works to a peer-reviewed scientific journals of MDPI or other editorials during or after finalization of the conference, as per SciForum copyright rules.
Research Highlights. These short communications are comments on already published papers. They are short notes to comment about the more interesting points, highlights, etc. of works previously published by the authors or other groups. In this case, committee and/or external reviewers check also only scope and apparent scientific soundness. The works may receive also comments from registered participants (public post-publication review).
Authors Liability
In all cases, it is responsibility of authors, to perform a similarity checking , ensure veracity of contents, and carry out a proper citation of previous works. The committee is not responsible of the previous aspects in this publishing modality. Consequently, the opinions expressed on the communications are not necessarily coincident to the opinions of the members of the committees. In this sense, we strongly recommend the authors to use online text-similarity checking services, such as Turnitin, etc., if possible. These tools may help authors to avoid any form of plagiarism or copyright violation. The authors may be requested to modify the communication (re-write their texts) in the case that high similarity is detected and reported to the committee. In these cases, the manuscript could be put on standby or withdrawn temporarily until the authors re-submit the proper version. The authors are also allowed to submit short reviews, comments, letters, or discussions of papers already published if they guarantee sufficient difference to previous public contents.
Call for Collaborators, Editors, Chairpersons, and Sponsors
We welcome indirect nominations and/or personal applications for a position in some of the following modalities, or other modalities of collaboration: (1) Committee membership (nomination or personal application for membership in honor, steering, or scientific committees). (2) Guest-Editor of JCR MDPI journal issue (help to propose, editing, announce your special issue in one of the MDPI journals). (3) Chairperson of workshop (publishing an online or in person workshop of your institution with you as chairperson). (4) Sponsor of conference (including logo, description, flyer, and link to homepage of your institution). (5) Speaker (publication of video conferences with cover poster, issn, isbn, and doi number). We sincerely invite you to join MOL2NET Conference Series or one of the worldwide associated workshops; please, sent a direct email to the chairperson.
https://orcid.org/0000-0002-9392-2797, Email: [email protected](1) Dept. of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain.
(2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.
MOL2NET'19 CONGRESSES
01. USEDAT-05: USA-Europe Data Analysis Training Bilbao, Spain-Cambridge, UK-Miami, USA, 201902. USINEWS-03: US-IN-EU Worldwide Science Workshop Series, UMN, Duluth, USA, 2019
04. ICWM-01: I International Conference and Workshop: Microbiota, UDC, Coruña, Spain, 2019
05. CHEMBIOINFO-05: Chem-Bioinformatics Congress München, Germany-Chapell Hill, USA, 2019
06. NANOMATJND-05: JSU-NDSU Nanotech. & Materials Science Workshop, Jackson & Fargo, USA, 2019
07. CHEMBIOMOL-05: Chem. Biol. & Med. Chem. Workshop, Bilbao-Lisboa, Portugal-Rostock, Germany, Galveston, Texas, USA, 2019
08. MODEC-04: Nat. Prod. & Agro-Indust. Proc. in Amazon, UEA, Puyo, Ecuador, 2019
09. TECHLAWSCI-03: PANELFIT & NKL H2020 Tech. Law. & Sci. Challenges, Bilbao, Spain, Halden, Norway, Baltimore, USA, 2021
10. UDLABIOTECH-01: I International Biotechnology Congress, UDLA, Quito, Ecuador, 2019
11. not used 01
12. not used 02
03. NIXMSM-05: North-Ibero-American Workshop on Exp., Model., and Simul. Methods, Valencia, Bilbao, Spain-Miami, USA, 2019
13. not used 03
MOL2NET - MDPI Journals Issues
02. Biomolecules (Call For Papers): Special Issue: Big Data Analysis in Biomolecular Research, Bioinformatics, and Systems Biology with Complex Networks and Multi-Label Machine Learning Models. Journal: Biomolecules (ISSN 2218-273X). JCR IF = 4.694. Section: Bioinformatics and Systems Biology. Topics: Cheminformatics; Bioinformatics; Machine Learning; Complex Networks; Drug Discovery, Databases, Big Data, Systems Biology. Guest Editor: Prof. Humbert González-Díaz, Email: [email protected], Department of Organic Chemistry II, University of the Basque Country (UPV/EHU) and Ikerbasque - Basque Foundation for Science, 48011 Bilbao, Biscay, Spain. Submissions until: 31 July 2020.
08. Nanomaterials (Published):Special Issue: Experimental Nanosciences, Computational Chemistry, and Data Analysis. Journal Nanomaterials (ISSN 2079-4991), JCR IF = 3.55. Editors: Prof. Humbert González-Díaz, UPV/EHU, Basque Country, Spain, Prof. Dr. H. Kušić, UZ, Croatia, Prof. B. Rasulev , NDSU, USA, Dr. Shameer Khader, Philips, Cambridge, MA, USA.
11. Molecules (Call For Papers): Special Issue: Computational Methods for Drug Discovery and Design. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.098. Last Date: 2019-Dec-30. Topics: molecular modeling; molecular simulations; computational biochemistry; computer-aided drug design; protein kinase inhibitors. Editor: Prof. Julio Caballero, Email: [email protected], Centro de Bioinformática y Simulación Molecular (CBSM), Facultad de Ingeniería, Universidad de Talca, Casilla 747, Talca 3460000, Chile.
13. Molecules (Published): Special Issue: GPCR Mechanism and Drug Design. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2019-Nov-30. Topics: data science; drug design and discovery; computational chemistry; structural biology; molecular modeling; molecular docking; computational mutagenesis; G-protein-coupled receptors; protein–protein interactions; protein–ligand interactions. Workshop Associated: EJIBCE, Encontro de Jovens Investigadores de Biologia Computacional e Estrutural, Portugal, 2018. Editor: Dr. Irina Moreira, Email: [email protected], Center for Neuroscience and Cell Biology (CNC), University of Coimbra (UC), Portugal.
19. Applied Sciences (Published): Special issue entitled: Applied Artificial Neural Networks. Journal Applied Sciences (ISSN 2076-3417), JCR IF = 2.217. Topics: Evolutionary Computation; Artificial Neural Networks; Artificial Intelligence; Feature Selection; Machine Learning. Editor: Prof. Marcos Gestal. Email: [email protected], Computation Sciences and Information Technologies Department, Faculty of Computer Science, University of A Coruña, 15071, A Coruña, Spain.
Biomolecules 2019, 9(12), 778; https://doi.org/10.3390/biom9120778 - 25 Nov 2019.
MOL2NET Honor & Sci. Committee
MOL2NET Chairman & Honor Advisory Committee
*Note: This committee is for MOL2NET Conference Series, to see the committees of each specific workshops associated to the conference visit the page of this workshop.
Prof. Humbert González-Díaz, IKERBASQUE Professor, Email: [email protected]
(1) Dept. of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain.
(2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.
ORCID: https://orcid.org/0000-0002-9392-2797
Honor Advisory Committee
Prof. Fernando P. Cossío, (IKERBASQUE Foundation President), Prof. Dept. of Organic Chemistry I,
University of Basque Country (UPV/EHU), Donostia - San Sebastián Campus, Gipuzkoa.
Prof. Jerzy Leszczynski, USA Presidential Distinguished Fellow, Dept. of Chemistry and Biochemistry Interdisciplinary Center for Nanotoxicity (ICN), Jackson State University (JSU), USA.
Dr. Allen B. Reitz, Ph.D., CEO Fox Chase Chemical Diversity Center, Inc., Doylestown, PA, USA. Moore Fellow in the Management of Technology, University of Pennsylvania (Penn Engineering), Adjunct Professor at Drexel University College of Medicine, Founder CEO of ALS Biopharma, LLC. Editor-in-Chief of Curr Top Medicinal Chemistry
Prof. Danail Bonchev, Director of Research on Bioinformatics, Center for the Study of Biological Complexity. Prof., Dept of Mathematics & Applied Mathematics, Virginia Commonwealth University (VCU), USA.
Dr. Subhash C. Basak, (1) Ph.D. Senior Scientist at Natural Resources Research Institute, Center for Water and the Environment (CWE), Duluth, MN, USA. (2) Adjunct Associate Professor, Department of Chemistry, University of Minnesota Twin Cities, MN, USA.
Prof. Dr. Peter Langer, Full Professor (C4) of Organic Chemistry, Vice Director Institute of Chemistry, University of Rostock, Head of the Department of Organic Chemistry. Universität Rostock Institut für Chemie Abteilung für Organische Chemie Albert-Einstein-Straße 3a 18059 Rostock.
Prof. Ernesto Estrada Roger, Department of Mathematics and Statistics, Chair in Complexity Sciences, Institute of Complexity Systems, University of Strathclyde Glasgow, G1 1XQ, UK. Editor-in-Chief of Journal of Complex Networks, Oxford Academic Press.
Prof. María Isabel Loza, Vice-Director CiMUS, Department of Pharmacology, University of Santiago de Compostela USC, Spain.
Prof. Victor M. Preciado, Raj and Neera Singh Term Assistant Professor Electrical and Systems Engineering (ESE),
Penn Engineering, University of Pennsilvania, USA.
Prof. Daniel Graham, Professor of Chemistry, Loyola University of Chicago (LUC), USA.
Prof. Jesús Jimenez Barbero , Ikerbasque Professor, Scientific Director of Center for Cooperative Research in Biosciences (CICBiogune), Biscay. President of Royal Society of Chemistry of Spain.
Prof. Iban Ubarretxena, PhD, [IKERBASQUE Profile] [ISMMS Profile] Scientific Director of BIOFISIKA, Basque Center for Biophysics CSIC-UPVEHU, Biscay Biophysics Foundation (BBF), Research Prof. IKERBASQUE, Basque Foundation for Science, Bilbao, Basque Country, Spain. Assoc. Prof. of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai (ISMMS), NY, USA.
Prof. José María Pitarke , Prof. of Condesed Matter Physics, UPV/EHU, Director of Nanomaterials Cooperative Research Center (CICNanoGune), Tolosa Hiribidea, 76, E-20018, Donostia – San Sebastian, Gipuzkoa.
Prof. Luis M Liz-Marzán , Ikerbasque Professor, Scientific Director of Center for Cooperative Research in Biomaterials (CICbiomaGUNE), Gipuzkoa
Prof. C.M. Romeo Casabona, Full Professor of Law, Director of Law & Human Genome, Chair, University of the Basque Country (UPV/EHU), Biscay..
Prof. Alejandro Pazos, Ph.D., M.D., Chair and Director of Department of Computer Sciences, University of Coruña (UDC), Coruña, Spain.
Prof. Françoise Dumas, Prof. Université Paris-Sud, Paris, France CNRS, Directrice de recherche.
Prof. Roberto Todeschini, Professor of Chemometrics, Department of Environmental Sciences, University of Milano-Bicocca, Milano, Italy.
Prof. Ramón J. Estévez Cabanas, CIQUS and Dept. of Organic Chemistry, USC, Spain.
Prof. Miguel A. Gutierrez Ortiz, Dept. of Chemical Engineering, University of Basque Country (UPV/EHU), Campus Bizkaia, Leioa, Spain.
MOL2NET-UPVEHU HQ Institution Committee
*Note: This committee is for MOL2NET Conference Series, to see the committees of each specific workshops associated to the conference visit the page of this workshop.
Prof. Fernando Plazaola Muguruza, Dean Faculty of Science and Technology, University of The Basque Country (UPV/EHU), Leioa, Biscay, Spain.
Prof. Claudio Palomo Nicolau, Director Department of Organic Chemistry I, University of Basque Country (UPV/EHU), Donostia - San Sebastián Campus, Gipuzkoa, Spain. (UFI-QOSYC Council Coordinator)
Prof. Maria Isabel Moreno Benítez, Director Dept. of Organic Chemistry II, University of Basque Country (UPV/EHU), Leioa, Sarriena w/n, Bizkaia.
Headquarters Committee Chairpersons
Prof. Esther Lete, Prof. Dept. of Organic Chemistry II, University of Basque Country (UPV/EHU), Leioa, Sarriena w/n, Bizkaia. (Coordinator Ph.D. Synth. & Ind. Chemistry)
Prof. Nuria Sotomayor, Department of Organic Chemistry II, University of Basque Country (UPV/EHU), Leioa, Sarriena w/n, Bizkaia, Spain. (Coordinator M.Sc. Synth. & Ind. Chemistry)
MOL2NET-IKERBASQUE Advisory Committee
CALL FOR COLLABORATION: In this committee we list all the names of professors/researchers related to IKERBASQUE, Basque Foundation for Science; which are supporting MOL2NET conference. We welcome all members of Ikerbasque community to participate. As the conference is multidisciplinary we are open to experts in all topics. Please, do not hesitate to contact the chairperson to propose a collaboration by yourself or suggest some colleague. Members of the committee may have an active role collaborating in managing activities or a low-profile role. Some of the modalities of collaboration are as conference co-chairs, members of committees, workshop chairpersons, guest editors of JCR journals issues, social networks management, etc. Low-profile roles include being members of committee, recommending the conference to other colleagues, or making suggestions of topics, workshops, etc.
Prof. F.P. Cossío, Scientific Director, IKERBASQUE, Basque Foundation for Science, Dept. of Organic Chemistry I, UPV/EHU Campus Gipuzkoa.
Prof. J.Jimenez-Barbero, Ikerbasque Professor, Scientific Director of Center for Cooperative Research in Biosciences (CICBiogune), Biscay, Dept. of Organic Chemistry II, UPV/EHU, Leioa, Campus Biscay.
Prof. L.M. Liz-Marzán, Ikerbasque Professor, Scientific Director Center for Cooperative Research in Biomaterials CICbiomaGUNE, Gipuzkoa
Prof. E. Solano, Ikerbasque Prof., Ikerbasque Website, Dept. of Physical Chemistry, Univ. of the Basque Country UPV/EHU, 48080 Bilbao, Spain
Prof. S. Knafo, IKERBASQUE Professor, Molecular Cognition Laboratory, Biophysics Institute (CSIC, UPV/EHU), Scientific and Technological Park of Biscay, UPV/EHU, Campus Biscay. Ben Gurion University, Israel.
Prof. Marcos J. Araúzo-Bravo, Ikerbasque Professor, Bioengineering, BioDonostia Health Research Institute, Donostia, Spain.
Prof. M. Piris, IKERBASQUE Professor, DIPC Donostia International Physics Center, UPV/EHU, Campus Donostia - San Sebastian
Prof. Geza Toth, Ikerbasque Professor, Department of Physics, UPV/EHU, Campus Biscay
MOL2NET Chairperson: Prof. Humbert González-Díaz, IKERBASQUE Professor, Email: [email protected], (1) Department of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain. (2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain. ORCID: https://orcid.org/0000-0002-9392-2797
MOL2NET Sci. Committee
MOL2NET Scientific Committee (Abroad)
*Note: This committee is for MOL2NET Conference Series, to see the committees of each specific workshops associated to the conference visit the page of this workshop.
Presidents of the Abroad Scientific Committee
President of Scientific Committee (Mathematics, Physics, Environmental, Atmospheric, and Complexity Sciences)
Prof. David Quesada (Email: [email protected]), Full Professor, Chair of Department of Mathematics, Miami Dade College (MDC), Miami, FL, USA. Chairman STU-MDC Summer Research Institute, (SRI09 Workshop Chairman, Miami, USA) (SRI08 Workshop Chairman, Miami, USA)
President of Scientific Committee (Polymers & Materials Sciences)
Prof. Bakhtiyor Rasulev, Department of Coatings and Polymeric Material, North Dakota State University (NDSU), Fargo, USA.
President of Scientific Committee (Computational Chemistry and Nanosciences)
Prof. Natalia D.S. Cordeiro, Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, Porto, Portugal.
President of Scientific Committee (Experimental Chemistry)
Abroad Scientific Committee (North America)
Prof. James Robert Green, Assoc. Prof., Dept. of Systems and Computer Engineering, Carleton University, Ottawa, Canada.
Prof. Maykel Cruz-Monteagudo, Consultant, Univ. of Miami, Prof. West Coast University, Miami Campus, FL, USA.
Dr. Natalia Sizochenko, ICN, Dept. of Chemistry and Biochemistry, Jackson State University, Jackson, MS, USA.
Dr. Vanessa Aguiar-Pulido, Research Associate, Weill Cornell Medical College, New York City, NY, USA.
Dr. Robersy Sánchez, Eberly College of Science, Huck Institutes of the Life Sciences, The Pennsylvania State University, USA.
Dr. Shameer Khader, Program Director, Dept. of Medical Informatics and Research Informatics, Northwell Health, NY, USA.
Members of Scientific Committee (Europe)
Prof. Emilio Martinez-Nunez, Dept. of Physical Chemistry, University of Santiago de Compostela (USC), Spain,
Email: [email protected]
Prof. Fernanda Borges, Department of Chemistry and Biochemistry, University of Porto, Portugal.
Email: [email protected]
Dr. Hector M. Díaz-Albiter, Wellcome Trust Centre for Molecular Parasitology, University of Glasgow , United Kingdom.
Prof. Vanessa Robles, MODCELL Group, Department of Molecular Biology, Universidad de León, 24071 León, Spain.
Email: [email protected],
Prof. Igor Iosifovich Baskin, M.V. Lomonosov Moscow State University, Moscow, Russia.
Dr. Alessandro Guiliani, Istituto Superiore di Sanità (ISS), Italy.
Porf. Luisa Di Paola, Department of Engineering, Università Campus Bio-Medico, Rome, Italy.
Dr. Agnieszka Gajewicz, Assist. Prof., Faculty of Chemistry, University of Gdansk, Gdansk, Poland.
Dr. Irina Moreira, FCT Investigator, University of Coimbra, and Marie Curie Fellow at Utrecht University, Netherlands.
Dr. Riccardo Concu, FCT Post-doctoral Researcher, University of Porto, Porto, Portugal.
Dr. Marta G. Lete, CIC bioGUNE: Center for Cooperative Research in Biosciences, Great Bilbao, Biscay, Basque Country, Spain, Email: [email protected]
Members of Scientific Committee (Other Regions)
Prof. Kunal Roy, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India.
Prof. Eduardo Sobarzo-Sanchez. Instituto de Investigación e Innovación en Salud, Universidad Central de Chile, Chile.
Prof. Carolina Horta Andrade, Universidade Federal de Goias, Setor Leste Universitario, Goiania, Brazil.
Prof. Yovani Marrero-Ponce, University San Francisco de Quito, Quito, Ecuador. Email:
Prof. Marcus T Scotti, Universidade Federal da Paraíba, Campus IV, Paraíba, Brazil. Email: [email protected]
Prof. Juan A. Castillo-Garit, University of Medical Sciences of Villa Clara (UCMVC), Santa Clara, Cuba, Email: [email protected]
MOL2NET Scientific Committee (Local)
*Note: This committee is for MOL2NET Conference Series, to see the committees of each specific workshops associated to the conference visit the page of this workshop.
Chairperson Scientific Committee (Chemical Sciences) 
Prof. Sonia Arrasate, Department of Organic Chemistry II, University of Basque Country (UPV/EHU), Leioa, Sarriena w/n, Bizkaia.
Email: [email protected]
Chairperson Scientific Committee (Physical Sciences)
Prof. Juan M. Ruso, Department of Applied Physics, Faculty of Physics, University of Santiago de Compostela (USC), Spain.
Email: [email protected]
Chairperson Scientific Committee (Neurosciences)
Prof. Shira Knafo, IKERBASQUE Professor, Molecular Cognition Laboratory, (1) Biophysics Institute (CSIC, UPV/EHU), Scientific and Technological Park of Biscay. University of The Basque Country UPV/EHU, Biscay, Spain. Ikerbasque, Basque Foundation for Science. (2) Ben-Gurion University of the Negev Faculty of Health Sciences: Beer Sheva, Southern, Israel.
Chairperson Scientific Committee (ICT & Legal Informatics)
Dr. Aliuska Duardo Sanchez (Ph.D. Legal Informatics), Chair in Law & The Human Genome Research Group, Faculty of Law, University of The Basque Country UPV/EHU, Leioa (Bilbao), Biscay, PANELFIT H2020, Project Manager & EDC Board Coordinator, Europe Commission. Email: [email protected]
Scientific Committee Members
Deusto Tech Research Center, University of Deusto
Prof. Enrique Onieva, Lect. & Researcher, Big Data, Data Mining and Intell. Transp. Systems
BioDonostia Health Research Institute
Prof. Marcos J. Araúzo-Bravo, Ikerbasque Professor, Bioengineering
CIC bioGUNE, Center for Cooperative Research in Biosciences
Prof. Nicola Abrescia, Ikerbasque Professor, Structural Virology Laboratory
University of Santiago de Compostela (USC)
Prof. Julio Seijas , Dept. of Organic Chemistry, Faculty of Sciences, Campus Lugo, USC, Spain.
Prof. Eugenio Uriarte Villares, Dept. of Organic Chemistry, USC, Spain.
Prof. Florencio Martínez Ubeira, Dept. of Microbiology and Parasitology, USC, Spain.
Prof. María Isabel Loza, Department of Pharmacology, USC, Spain.
Prof. Ramón J. Estévez Cabanas, Dept. of Organic Chemistry, USC, Spain.
Prof. Emilio Martinez-Nunez, Dept. of Physical Chemistry, USC, Spain.
University of Vigo (UVIGO)
Prof. Yagamare Fall, Dept. of Organic Chemistry, University of Vigo (UVIGO), Vigo, Spain.
Scientific Committee Members (UPV/EHU)
Prof. Claudio Palomo Nicolau, Director Department of Organic Chemistry I, UPV/EHU, Campus Gipuzkoa
Prof. Francisco Palacios Gambra, Department of Organic Chemistry I, UPV/EHU, Campus Vitoria
Prof. Jose Luis Vicario, Department of Organic Chemistry II, UPV/EHU, Campus Biscay
Prof. Javier Meana, Department of Pharmacology, Faculty of Medicine, UPV/EHU, Campus Biscay
Prof. Néstor Etxebarria Loizate, Dept. Analytical Chemistry, UPV/EHU, Campus Biscay
Prof. Luis Lezama, Department of Inorganic Chemistry, UPV/EHU, Campus Biscay
Prof. Gotzon Madariaga, Department of Physics of Condensed Matter, UPV/EHU, Campus Biscay
Prof. Rosa M. Alonso, Department of Analytical Chemistry, UPV/EHU, Campus Biscay
Prof. Mª Isabel Moreno, Dir. Dept. of Organic Chemistry II, UPV/EHU, Campus Biscay
Prof. Imanol Tellitu Cortazar, Sec. Dept. of Organic Chemistry II, UPV/EHU, Campus Biscay
Prof. Jose Luis Vilas, Dir. Dept. of Physical Chemistry, UPV/EHU, Campus Biscay
Prof. Maria Luisa Carrillo Fernández, Dept. of Organic Chemistry II, UPV/EHU, Campus Biscay
Prof. Efraim Reyes Martín, Dept. of Organic Chemistry II, UPV/EHU, Campus Biscay
Prof. Uxue Uria Pujana, Dept. of Organic Chemistry II, UPV/EHU, Campus Biscay
Prof. Raúl SanMartín Faces, Dept. of Organic Chemistry II, UPV/EHU, Campus Biscay
Prof. Mª Teresa Herrero Corral, Dept. of Organic Chemistry II, UPV/EHU, Campus Biscay
Prof. Eneritz Anakabe Iturriaga, Department of Organic Chemistry II, UPV/EHU, Campus Biscay
Prof. Carmen Iriondo Gabilondo, Dept. of Organic Chemistry II, UPV/EHU, Campus Biscay
Prof. Mario Piris, Ikerbasque Prof., Donostia International Physics Center (DIPC), UPV/EHU, Campus Gipuzkoa
Prof. Inmaculada Arostegui, Dept. of Applied Mathmatics and Statistics, UPV/EHU, Campus Biscay
Prof. Aresatz Usobiaga, Department of Analytical Chemistry, UPV/EHU, Campus Biscay
Prof. Maite Insausti, Department of Inorganic Chemistry, UPV/EHU, Campus Biscay
Prof. Izaskun Gil de Muro, Dept. of Inorganic Chemistry, UPV/EHU, Campus Biscay
Ph.D. Jose Manuel Laza Terroba, Dept. of Physical Chemistry, UPV/EHU, Campus Biscay
Prof. Ailette Prieto Sobrino, Dept. of Analytical Chemistry, UPV/EHU, Campus Biscay
Prof. Jose Luis Ayastuy Arizti, Dept. of Chemical Engineering, UPV/EHU, Campus Biscay
Prof. Irantzu Barrio, Ph.D. Department of Applied Mathematics and Statistics, UPV/EHU, Campus Biscay
PhD. Marta G. Lete, Dept. of Biochemistry and Molecular Biology, UPV/EHU, Campus Biscay
Thank you for your support!!!
MOL2NET Chairman
Prof. González-Díaz H., IKERBASQUE Professor, Email: [email protected]
(1) Department of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain.
(2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.
ORCID: https://orcid.org/0000-0002-9392-2797
USEDAT People Photo Gallery
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USEDAT UDC RNASA-IMEDIR School: Prof. Alejandro Pazos, Director Dept. of Computation and Prof. Cristian Munteanu, Dept. of Comput., FIC, UDC and RNASA-IMEDIR Staff Professors and Researchers with USEDAT Students MSc Alejandro Cabrera and MSc Andres López-Cortez (UDC PhD Students and Profs. UDLA Quito, Ecuador) and USEDAT Students from DELFIN Summer Internship Program (Jesús Hernández, Luis Trejo y María Martínez), sistemas computacionales (Francisco Medrano y Edgar Pozas), química (Carlos Cruz y Fernando Valdés), electromecánica (Elizabeth Hernández), biomédica (Karina Solórzano) y farmacéutica (Guillermina Martínez), Funded by CONCAYT Mexico, 2019. Ref: El Correo Gallego Press Note [Newsid1191477].
USEDAT GTPB - The Gulbenkian Training Programme in Bioinformatics: Prof. Pedro L. Fernandes, with students of Bioinformatics Training, Instituto Gulbenkian de Ciencia (IGC), Lisbon.
USEDAT GTPB - The Gulbenkian Training Programme in Bioinformatics (@mygtpb): Train-the-Trainer event, attached to the BPBR16 course. First day, how learning works, training techniques. Prof. Pedro L. Fernandes, with Ragnhild Reehorst Lereim, Vincenza Colonna, Domenica D'Elia, Allegra Via, Kim Gurwitz, David Philip Judge, Inês Fragata, Herminia Gnu, Marta Pingarilho, Jure Dimec and KeLin at Instituto Gulbenkian de Ciência, Lisbon, Portugal.
USEDAT UPV/EHU School: Prof. Sonia Arrasate and Prof. Humbert Gonzalez-Diaz (IKERBASQUE Professor) UPV/EHU Dept. Org. Chem II, with with USEDAT Students from DELFIN Summer Internship Program, Funded by CONCAYT Mexico, 2019.
SDDN2018 USEDAT UPV/EHU School visit: Prof. Mabel Losa, University of Santiago de Compostela (USC), Prof. Esther Lete, Prof. Nuria Sotomayor, Prof. Sonia Arrasate, UPV/EHU Dept. Org. Chem II, with USEDAT Students Dr. Javier Llorente (UPV/EHU), MSc Viviana Quevedo (PhD Student University of Coruña and Prof. Universidad Estatal Amazónica), MSc. Deyani Nocedo Mena(PhD Student UANL, Funded by Conacyt, Mexico), MSc. Ricardo Santana (PhD Student Universidad de Deusto funded by Colciencias, Colombia) , MSc Harbil Bediaga (UPV/EHU) at Plenary Talk of Prof. Humbert Gonzalez-Diaz (IKERBASQUE Professor, MOL2NET Chairperson) at SDDN2018 X meeting of the Spanish Drug Discovery Network, Bizkaia Aretoa in Bilbao on November 22nd and 23rd, 2018, kindly invited by Prof. Jesús Jiménez-Barbero (CIC Biogune Director), SDDN Chairperson, MOL2NET Honor Committee.
USEDAT UPV/EHU School: Prof. Humbert Gonzalez-Diaz (IKERBASQUE Professor, MOL2NET Chairperson) and Prof. Sonia Arrasate, UPV/EHU Dept. Org. Chem II, with USEDAT Students MSc Viviana Quevedo (PhD Student University of Coruña and MD Student Raquel Alfaro, CONACYT Delfin Program Student.(1) Dept. of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain.
(2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.
Conference Organizers
Humbert G. Díaz
Department of Organic and Inorganic Chemistry , University of the Basque Country UPV/EHU , 48940, Leioa, BGreater Bilbao, Basque Country, Spain.,
CHEM.PTML Laboratory, Biofisika Institute, CSIC-UPVEHU, 48940, Leioa, Greater Bilbao, Basque Country, Spain.,
IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.
(1) IKERBASQUE Professor of Dept. of Org. and Inorg. Chem., University of the Basque Country (UPV/EHU) and Head of CHEM.PTML Laboratory, Biofisika Institute, CSIC-UPV/EHU, positions endowed by IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Basque Country, Spain. Professor of Cheminformatics and Bioinformatics with more than ten years of experience as lecturer, researcher, editor, and/or chairperson of scientific conferences. Hirsch Index H = 50 with more than 200 JCR research papers, 10 PhD thesis supervised, 2 patents, and 10 software co-authored. (2) Research Interest: Data Analysis Algorithms (Machine Learning, Complex Networks, Cheminformatics, etc.) in Chemistry, Pharmaceutical Sciences, Neurosciences, Nanotechnology, Biotechnology, etc. (3) Previous Service & Pro-Bono Consulting: Grant Reviewer for H2020-JTI-IMI2 Europe, ERC H2020 COG Europe, NSF USA, BBSRC UK, BMBF Germany, BARD USA-ISR, etc. Europe Editor: Curr Top Med Chem. Referee: Nature Protocols, Chem Reviews, Nuc Acid Research, J Med Chem, Bioinformatics, J Chem Theor Comput, etc. Chairperson: MOL2NET Conference Series, USEDAT: USA-Europe Data Analysis Training Program. Email: [email protected] *Note: Do not hesitate to send proposals on these topics.
[email protected]
Conference Chairs
Prof. Dr. Humbert G. Díaz
Department of Organic Chemistry II and Basque Center for Biophysics, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain.
Orcid: Website,
CHEM.PTML Laboratory, Biofisika Institute, CSIC-UPVEHU, 48940, Leioa, Greater Bilbao, Basque Country, Spain.
Website,
IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.
Ikerbasque foundation: Website
(1) Ph.D. Organic Chemistry, University of Santiago de Compostela (USC), Spain, 2005. Ikerbasque Professor, University of the Basque Country UPV/EHU, Bilbao, Spain. (2) Research Interest: Data Analysis Algorithms (Machine Learning, Complex Networks, Cheminformatics, etc.) in Chemistry, Pharmaceutical Sciences, Neurosciences, Nanotechnology, Biotechnology, etc. (3) Accreditation & Metrics: ANECA (Assoc. Prof.), ANEP I3 (Researcher), etc. Publons Top Handling Editor 2016. Hirsch H-index >45 (Web of Science), >200 JCR Papers. (4) Previous Service & Pro-Bono Consulting: Grant Reviewer for H2020-JTI-IMI2 Europe, ERC H2020 COG Europe, NSF USA, BBSRC UK, BMBF Germany, BARD USA-ISR, etc. Europe Editor: Curr Top Med Chem. Referee: Nature Protocols, Chem Reviews, Nuc Acid Research, J Med Chem, Bioinformatics, J Chem Theor Comput, etc. Chairperson: MOL2NET Conference Series. *New Collaborations & Job Interest: Research Consortium Partner, Science Pro-bono Consulting, Research Consultant Contract, Journal Editor, Visiting Professor, Advis
[email protected]
List of accepted submissions (137)
| Id | Title | Authors | Presentation | |
|---|---|---|---|---|
| sciforum-029068 | Targeting acetylcholinesterase with halogenated ligands: finding halogen bonding hotspots | , |
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| sciforum-028461 | Steroidal saponins isolation of Agave americana subsp. andina by enzymatic hydrolysis: a new approach. | N/A |
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| sciforum-028318 | Comparative study of biochemical composition and enzymatic activity of Bothrops atrox venom | , , , , , | N/A |
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| sciforum-027397 | Comprehensive study of a Thithonia diversifolia material using mathematical modeling | , |
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| sciforum-028893 | Prediction of antifungal activity, cytotoxicity risks and molecular docking against Malassezia furfur of constituents of citronella essential oil (Cymbopogon winterianus) | , , , , , , | N/A |
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