Editorial Board
Editor-in-Chief |
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Emil Alexov https://orcid.org/0000-0001-5346-0156Wallace R. Roy Distinguished Professor Department of Physics and Astronomy Department of Material Sciences Department of Healthcare Genetics Clemson University, USA Email: ealexov@clemson.edu Website: http://compbio.clemson.edu/ Research areas: computational biophysics, bioinformatics, personalized medicine, precision diagnostics |
Advisory Editors |
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Arieh Warshel https://orcid.org/0000-0001-7971-5401 Nobel Laureate in Chemistry, 2013 Elected Member, U.S. National Academy of Sciences Dana and David Dornsife Chair in Chemistry Distinguished Professor of Chemistry and Biochemistry University of Southern California, USA Email: warshel@usc.edu Website: https://en.wikipedia.org/wiki/Arieh_Warshel, https://laetro.usc.edu/ Research areas: computational enzymology, force field development, advanced protein electrostatics, ion channels & proton transport, G-proteins, entropy, DNA and RNA replication and fidelity, vision and photobiology, drug resistance & drug design |
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J. Andrew McCammon https://orcid.org/0000-0003-3065-1456 Elected Member, US National Academy of Sciences Elected Member, American Academy of Arts & Sciences Fellow, American Association for Advancement of Science Fellow, American Physical Society Fellow, Biophysical Society Distinguished Professor of the Graduate Division Joseph E. Mayer Chair Professor of Theoretical Chemistry Emeritus Distinguished Professor of Pharmacology Emeritus, School of Medicine University of California, San Diego, USA Email: jmccammon@ucsd.edu Website: https://mccammon.ucsd.edu/ Research areas: molecular and Brownian dynamics simulations, molecular recognition, computer-aided drug design |
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Barry Honig https://orcid.org/0000-0002-2480-6696 Elected Member, U.S. National Academy of Sciences Elected Member, American Academy of Arts and Sciences Fellow, American Association for Advancement of Science Fellow, International Society of Computational Biology Fellow, Biophysical Society Professor Department of Systems Biology Department of Biochemistry and Molecular Biophysics Department of Medicine Zuckerman Institute Columbia University, USA Email: bh6@cumc.columbia.edu Website: http://honig.c2b2.columbia.edu/ Research areas: electrostatics in biomacromolecules, protein-DNA interactions, cell-cell adhesion, structural bioinformatics, cadherins |
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Michael K. Gilson https://orcid.org/0000-0002-3375-1738 Distinguished Professor and Chair in Computer-Aided Drug Design Skaggs School of Pharmacy and Pharmaceutical Sciences Department of Chemistry and Biochemistry Co-Director, UCSD Center for Drug Discovery Innovation UC San Diego, USA Email: mgilson@health.ucsd.edu Website: https://gilson.cloud.ucsd.edu/ Research areas: computer-aided drug design, statistical thermodynamics of protein-small molecule binding, force fields, database of measured binding affinities (BindingDB), molecular motors and non-equilibrium systems, blinded prediction |
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John Z.H. Zhang (founding Editor-in-Chief) https://orcid.org/0000-0003-4612-1863 Professor, Department of Chemistry Director, NYU-ECNU Center for Computational Chemistry New York University, USA Email: john.zhang@nyu.edu Website: https://as.nyu.edu/faculty/john-zhang.html Research areas: computational chemistry, computational protein dynamics |
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Guowei Wei (Editor-in-Chief from 2012–2016) https://orcid.org/0000-0001-8132-5998 Professor Department of Mathematics Department of Engineering Department of Biochemistry and Molecular Biology Michigan State University, USA Email: weig@msu.edu Website: https://users.math.msu.edu/users/weig/ Research areas: mathematical biophysics, machine learning, data science, drug discovery |
Associate EditorsAmericas |
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Ana Damjanovic https://orcid.org/0000-0001-7635-2705 Assistant Research Professor Department of Biophysics Johns Hopkins University, USA Email: adamjan1@jhu.edu Website: https://sites.krieger.jhu.edu/damjanovic-lab/ Research areas: ion channels, protein and membrane electrostatics |
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Lin Li https://orcid.org/0000-0001-6447-2398 Assistant Professor Department of Physics Border Biomedical Research Center (BBRC) University of Texas at El Paso, USA Email: lli5@utep.edu Website: http://compbio.utep.edu/ Research areas: computational biophysics, bioinformatics, molecular motors |
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Yirong Mo https://orcid.org/0000-0002-2994-7754 Professor & Department Chair (Nanoscience) Joint School of Nanoscience and Nanoengineering University of North Carolina at Greensboro, USA Email: y_mo3@uncg.edu Website: https://jsnn.ncat.uncg.edu/people/yirong-mo/ Research areas: bonding, computational studies of inorganic/nano/biological systems |
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Alexey Onufriev https://orcid.org/0000-0002-4930-6612 Professor Department of Computer Science Department of Physics Department of Biomedical Engineering and Mechanics Virginia Tech, USA Email: alexey@cs.vt.edu Website: http://people.cs.vt.edu/onufriev/ Research areas: computational biophysics, biomolecular electrostatics, structure-function connection in biomolecular systems (water, DNA, 3D genome organization) |
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Wei Yang https://orcid.org/0000-0002-4520-3253 Professor of Chemistry & Biochemistry Institute of Molecular Biophysics Florida State University, USA Email: yang@sb.fsu.edu Website: http://biophysics.fsu.edu/yang/ Research areas: first principles-based protein and ligand design, long-timescale biochemical & biophysical simulations |
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Shan Zhao https://orcid.org/0000-0002-3023-2107 Professor Department of Mathematics University of Alabama, USA Email: szhao@ua.edu Website: https://math.ua.edu/people/shan-zhao/ Research areas: mathematical methods for molecular biology, implicit solvent models, biomolecular solvation analysis, ensemble averaged electrostatics, regularization for singular charges, PDE modeling of molecular surfaces, variational multiscale models, fast molecular surface triangulation |
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Rita Casadio https://orcid.org/0000-0002-7462-7039 Elected Fellow, International Society of Computational Biology Professor of Biochemistry Department of Biocomputing University of Bologna, Italy Email: rita.casadio@unibo.it Website: http://www.biocomp.unibo.it/casadio/ Research areas: machine learning, computer modelling of protein folding, protein structure and function prediction, membrane protein topology, protein-protein and protein-DNA interaction, protein reaction mechanisms, de novo design of peptides/molecules, genome annotation, protein interaction networks, SNPs search and annotation and their effect on protein stability |
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Mire Zloh FRSC https://orcid.org/0000-0002-4848-2737 Fellow, Royal Society of Chemistry Emeritus Professor, University of Hertfordshire, UK Honorary Professor, University College London, UK Vice Dean for International Cooperation and Research, Faculty of Pharmacy in Novi Sad, Serbia Email: m.zloh@herts.ac.uk; m.zloh@ucl.ac.uk Website: https://researchprofiles.herts.ac.uk/en/persons/mire-zloh Research areas: drug design and discovery, computational medicinal chemistry, chemometrics, dendrimers, efflux pumps, PEGylated proteins |
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Marc Van der Kamp https://orcid.org/0000-0002-8060-3359 Associate Professor School of Biochemistry University of Bristol, UK Email: m.marc.vanderkamp@bristol.ac.uk Website: https://research-information.bris.ac.uk/en/persons/marc-w-van-der-kamp Research areas: Multiscale biomolecular simulation of enzyme reactions (applications and methods), biomolecular simulations to investigate the dynamics and interactions of proteins and their complexes |
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Miguel Machuqueiro https://orcid.org/0000-0001-6923-8744 Assistant Professor Department of Chemistry and Biochemistry University of Lisbon, Portugal Email: machuque@ciencias.ulisboa.pt Website: http://mms.rd.ciencias.ulisboa.pt/ Research areas: computational biophysics, constant-pH MD methods |
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António Varandas https://orcid.org/0000-0003-1501-3317 Professor Department of Chemistry University of Coimbra, Portugal Email: varandas@uc.pt Website: https://www.uc.pt/uid/tcc/people/ajcvarandas Research areas: computational chemistry, potential energy surfaces |
| Asia | |
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Mohammednoor Altarawneh https://orcid.org/0000-0002-2832-3886 Associate Professor Department of Chemical and Petroleum Engineering United Arab Emirates University, UAE Email: mn.altarawneh@uaeu.ac.ae Website: https://eng.uaeu.ac.ae/en/departments/chem-pet/profile.shtml?email=mn.altarawneh@uaeu.ac.ae Research areas: computational catalysis, halogenated pollutants, low-temperature oxidation reactions |
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Zexing Cao https://orcid.org/0000-0003-0803-7732 Professor Department of Chemistry Xiamen University, China Email: zxcao@xmu.edu.cn Website: http://ctc.xmu.edu.cn/zxcao/ Research areas: computational chemistry, excited states and photochemistry, enzymatic catalysis, computational materials science |
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Frank Eisenhaber https://orcid.org/0000-0002-9599-5420 Executive Director, Senior Principal Investigator Bioinformatics Institute Agency for Science, Technology and Research (A*STAR), Singapore Email: frank@eisenhaber.org Website: https://www.a-star.edu.sg/bii/people/principal-investigators Research areas: bioinformatics, gene/protein function prediction, discovery of new biomolecular mechanisms |
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Michitoshi Hayashi https://orcid.org/0000-0001-7507-8708 Director Center for Condensed Matter Sciences (CCMS) National Taiwan University, Taiwan Email: atmyh@ntu.edu.tw Website: http://www.ntu-ccms.ntu.edu.tw/en/members/michitoshi-hayashi-9 Research areas: computational studies of periodic materials (molecular crystals, polymers, perovskites) and low dimensional systems |
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Rizwan Hasan Khan https://orcid.org/0000-0002-9965-8982 Professor Interdisciplinary Biotechnology Unit Aligarh Muslim University, India Email: rhkhan.cb@amu.ac.in Website: https://www.amu.ac.in/faculty/interdisciplinary-biotechnology-unit/rizwan-hasan-khan Research areas: protein structure and function, protein misfolding / aggregation, amyloid induction and inhibition, neuroscience (Alzheimer's and Parkinson's), purification/refolding of recombinant proteins, albumin-drug interaction |
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Minghui Li https://orcid.org/0000-0002-7657-6589 Professor School of Biology & Basic Medical Sciences Soochow University, China Email: minghui.li@suda.edu.cn Website: https://lilab.jysw.suda.edu.cn/ Research areas: computational biophysics, mutations, diseases |
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Renjith Thomas FRSC https://orcid.org/0000-0003-0011-633X Professor and Head Department of Chemistry, St Berchmans College Mahatma Gandhi University, India Email: renjith@sbcollege.ac.in Website: https://sbcollege.ac.in/faculty/1259/ Research areas: theoretical solvation science, theoretical organic chemistry, drug design and discovery, excited state phenomena, machine learning in theoretical and medicinal chemistry |
Social Media Editor |
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Marta S. P. Batista https://orcid.org/0000-0002-7727-9498 Ph.D. Candidate Faculty of Sciences University of Lisbon, Portugal Email: martaspbat@ciencias.ulisboa.pt Website: https://www.linkedin.com/in/martaspbat/ Research areas: Molecular Dynamics, Computational Biophysics |