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Advances and Applications in Bioinformatics and Chemistry
IRB research programme in Computational Biology, Barcelona Supercomputing Center, Spain
Editor-in-Chief: Juan Fernandez-Recio
Dr Fernández-Recio is leading the Protein Interactions and Docking group at the Life Sciences Department of the Barcelona Supercomputing Center. During his PhD thesis research in Biochemistry at the University of Zaragoza (Spain), supervised by Prof Carlos Gómez-Moreno and Prof Javier Sancho, he characterized the biophysical role of specific residue interactions in protein folding and stability. As a research associate with Prof Ruben Abagyan at the Scripps Research Institute in California, he developed innovative computational tools for the structural prediction and characterization of protein–protein complexes. As a Marie Curie Research Fellow within the group of Prof Sir Tom Blundell at the University of Cambridge in UK, he developed highly efficient docking schemes, combining theoretical energy considerations and data-driven scoring, and provided computational models for a number of protein–protein complexes as well as new insights on the protein association mechanism.
Dr Fernández-Recio's past research at the Barcelona Supercomputing Center has been devoted to the theoretical study of biological phenomena at molecular level and the development of novel computer tools for the structural prediction and characterization of protein–protein and protein–RNA interactions. He devised innovative methods for the prediction of hot-spot residues or protein-nucleic acid interfaces, and has been actively involved in multi-disciplinary collaborations for the study of systems of biomedical interest, like the interaction between polygalactorunase and its inhibitor, the nucleic acid binding properties of translin, or the dynamics of oligomerization of diverse systems by SAXS. His current research includes the application of high-performance computing techniques to current challenges in docking, such as modeling of flexible complexes, interactomics, or drug discovery targeting protein–protein interactions.
Dr Fernández-Recio has been an active participant in the CAPRI communitywide experiment for the evaluation of protein–protein docking methods since it started in 2001. At national and international levels, he has served as evaluator of multiple grant agencies and has acted as reviewer, guest editor, and member of the editorial advisory boards in many different scientific journals.
Ibon Alkorta, Instituto de Quimica Medica (CSIC), Madrid, Spain
Jim Briggs, Department of Biology and Biochemistry, University of Houston, Houston, USA
Claudio Cavasotto, Ph.D. Laboratory of Computational Drug Design and Biomedical Informatics, Translational Medicine Research Institute (IIMT), CONICET-Universidad Austral, Buenos Aires, Argentina, Austral Institute for Applied Artificial Intelligence, Universidad Austral, Buenos Aires, Argentina.
Marta Filizola, PhD, Professor, Department of Pharmacological Sciences, Dean of the Graduate School of Biomedical Sciences, Icahn School of Medicine at Mount Sinai, New York, NY, USA
Paul Horton, Professor, Department of Computer Science and Information Engineering; and the Institute of Medical Informatics National Cheng Kung University, Taiwan
Alexander MacKerell, Grollmann-Glick Professor of Pharmaceutical Sciences, Computer-Aided Drug Design Center, Department of Pharmaceutical Sciences, University of Maryland, Baltimore, MD, USA
Bernard Maigret, CNRS Research Director, Nancy-University, France
Campbell McInnes, Drug Discovery and Biomedical Sciences, College of Pharmacy, University of South Carolina, Columbia, SC, USA
Maria A. Miteva, Research Director at Inserm, Co-director of Inserm U1268 MCTR Medicinal Chemistry and Translational Research, CiTCoM UMR 8038 CNRS - University of Paris, Faculty of Pharmacy, Paris, France.
Kenji Mizuguchi, National Institutes of Biomedical Innovation, Health and Nutrition, Institute for Protein Research, Osaka University, Osaka, Japan
Hongmao Sun, National Center for Advancing Translational Sciences (NCATS), Bethseda, MD, USA
Max Totrov, Molsoft LLC, La Jolla, CA, USA
Ilya Vakser, Director and Professor, Center for Computational Biology, The University of Kansas, Lawrence, KS, USA
Alexandre Varnek, Professor of Chemistry, Laboratory of Chemoinformatics, University of Strasbourg, France.
Chandra Verma, Bioinformatics Institute (A-STAR), National University of Singapore, Nanyang Technological University, Singapore
Hugo O Villar, Director, Life Sciences Programs, University of California, San Diego, La Jolla, CA, USA
Bruno Villoutreix, Research Director Inserm, Inserm U1177, School of Pharmacy, Lille, France.
Rebecca Wade, Molecular and Cellular Modeling Group, Heidelberg > Institute for Theoretical Studies (HITS) and Zentrum für Molekulare > Biologie der Universität Heidelberg (ZMBH), Heidelberg, Germany
Jim Warwicker, Senior Lecturer, Faculty of Life Sciences, University of Manchester, Manchester, UK
Yang Zhang, Professor, Department of Computational Medicine & Bioinformatics, Department of Biological Chemistry, The University of Michigan, MI, USA