Vijay Pande

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	Toate	Din 2020
Referințe bibliografice	66204	31112
h-index	121	69
i10-index	335	222

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Kyle A. BeauchampStanford, Tempus,Adresă de e-mail confirmată pe tempus.com
Gregory R. BowmanProfessor, University of PennsylvaniaAdresă de e-mail confirmată pe seas.upenn.edu
Lee-Ping WangDepartment of Chemistry, UC DavisAdresă de e-mail confirmată pe ucdavis.edu
Christopher D. SnowProfessor of Chemical and Biological Engineering, Colorado State UniversityAdresă de e-mail confirmată pe colostate.edu
Robert T. McGibbonD.E. Shaw ResearchAdresă de e-mail confirmată pe DEShawResearch.com
Michael R. ShirtsProfessor of Chemical and Biological Engineering, University of Colorado BoulderAdresă de e-mail confirmată pe colorado.edu
Alexander Y GrosbergProfessor of Physics, New York UniversityAdresă de e-mail confirmată pe nyu.edu
John D. ChoderaMemorial Sloan-Kettering Cancer CenterAdresă de e-mail confirmată pe mskcc.org
Bharath RamsundarDeep Forest Sciences, DeepChem, previously Computable, previously StanfordAdresă de e-mail confirmată pe stanford.edu
Diwakar ShuklaAssociate Professor, University of Illinois at Urbana-ChampaignAdresă de e-mail confirmată pe illinois.edu
Bojan ZagrovicAdresă de e-mail confirmată pe univie.ac.at
Evan N. FeinbergStanford UniversityAdresă de e-mail confirmată pe stanford.edu
Christian SchwantesPreviously: Stanford UniversityAdresă de e-mail confirmată pe stanford.edu
TJ LaneGroup Leader, DESYAdresă de e-mail confirmată pe desy.de
Young Min RheeKorea Advanced Institute of Science and TechnologyAdresă de e-mail confirmată pe kaist.ac.kr
Joe GomesUniversity of IowaAdresă de e-mail confirmată pe uiowa.edu
Brooke E. HusicPrinceton UniversityAdresă de e-mail confirmată pe princeton.edu
Matthew P. HarriganGoogle ResearchAdresă de e-mail confirmată pe google.com
Mohammad Muneeb SultanabsciAdresă de e-mail confirmată pe absci.com
Peter KassonProfessor, Georgia Tech and University of Virginia and Wallenberg Academy Fellow, Uppsala UniversityAdresă de e-mail confirmată pe gatech.edu

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Vijay Pande

Andreessen Horowitz, Stanford University

Adresă de e-mail confirmată pe stanford.edu - Pagina de pornire

AI protein folding drug design statistical mechanics


Titlu Sortați după descrierea bibliografică Sortați după an Sortați după titlu	Citat de Citat de	Anul
CHARMM-GUI input generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM simulations using the CHARMM36 additive force field J Lee, X Cheng, S Jo, AD MacKerell, JB Klauda, W Im Biophysical journal 110 (3), 641a, 2016	3594	2016
MoleculeNet: a benchmark for molecular machine learning Z Wu, B Ramsundar, EN Feinberg, J Gomes, C Geniesse, AS Pappu, ... Chemical science 9 (2), 513-530, 2018	3075	2018
OpenMM 7: Rapid development of high performance algorithms for molecular dynamics P Eastman, J Swails, JD Chodera, RT McGibbon, Y Zhao, KA Beauchamp, ... PLoS computational biology 13 (7), e1005659, 2017	2445	2017
MDTraj: a modern open library for the analysis of molecular dynamics trajectories RT McGibbon, KA Beauchamp, MP Harrigan, C Klein, JM Swails, ... Biophysical journal 109 (8), 1528-1532, 2015	2073	2015
Molecular graph convolutions: moving beyond fingerprints S Kearnes, K McCloskey, M Berndl, V Pande, P Riley Journal of computer-aided molecular design 30, 595-608, 2016	1889	2016
Strategies for pre-training graph neural networks W Hu, B Liu, J Gomes, M Zitnik, P Liang, V Pande, J Leskovec arXiv preprint arXiv:1905.12265, 2019	1704	2019
Current status of the AMOEBA polarizable force field JW Ponder, C Wu, P Ren, VS Pande, JD Chodera, MJ Schnieders, ... The journal of physical chemistry B 114 (8), 2549-2564, 2010	1563	2010
Graph convolutional policy network for goal-directed molecular graph generation J You, B Liu, Z Ying, V Pande, J Leskovec Advances in neural information processing systems 31, 2018	1147	2018
Low data drug discovery with one-shot learning H Altae-Tran, B Ramsundar, AS Pappu, V Pande ACS central science 3 (4), 283-293, 2017	930	2017
Markov state models: From an art to a science BE Husic, VS Pande Journal of the American Chemical Society 140 (7), 2386-2396, 2018	829	2018
Random-coil behavior and the dimensions of chemically unfolded proteins JE Kohn, IS Millett, J Jacob, B Zagrovic, TM Dillon, N Cingel, RS Dothager, ... Proceedings of the National Academy of Sciences 101 (34), 12491-12496, 2004	824	2004
Absolute comparison of simulated and experimental protein-folding dynamics CD Snow, H Nguyen, VS Pande, M Gruebele nature 420 (6911), 102-106, 2002	821	2002
Everything you wanted to know about Markov State Models but were afraid to ask VS Pande, K Beauchamp, GR Bowman Methods 52 (1), 99-105, 2010	818	2010
Exploring the helix-coil transition via all-atom equilibrium ensemble simulations EJ Sorin, VS Pande Biophysical journal 88 (4), 2472-2493, 2005	817	2005
Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins MR Shirts, JW Pitera, WC Swope, VS Pande The Journal of chemical physics 119 (11), 5740-5761, 2003	776	2003
Deep learning for the life sciences: applying deep learning to genomics, microscopy, drug discovery, and more B Ramsundar, P Eastman, P Walters, V Pande O'Reilly Media, 2019	764*	2019
Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics JD Chodera, N Singhal, VS Pande, KA Dill, WC Swope The Journal of chemical physics 126 (15), 2007	755	2007
OpenMM 4: a reusable, extensible, hardware independent library for high performance molecular simulation P Eastman, MS Friedrichs, JD Chodera, RJ Radmer, CM Bruns, JP Ku, ... Journal of chemical theory and computation 9 (1), 461-469, 2013	741	2013
Screen savers of the world unite! M Shirts, VS Pande Science 290 (5498), 1903-1904, 2000	736	2000
Accelerating molecular dynamic simulation on graphics processing units MS Friedrichs, P Eastman, V Vaidyanathan, M Houston, S Legrand, ... Journal of computational chemistry 30 (6), 864-872, 2009	701	2009

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