Vijay Pande

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Soavtorji

Kyle A. BeauchampStanford, Tempus,Preverjeni e-poštni naslov na tempus.com
Gregory R. BowmanProfessor, University of PennsylvaniaPreverjeni e-poštni naslov na seas.upenn.edu
Lee-Ping WangDepartment of Chemistry, UC DavisPreverjeni e-poštni naslov na ucdavis.edu
Christopher D. SnowProfessor of Chemical and Biological Engineering, Colorado State UniversityPreverjeni e-poštni naslov na colostate.edu
Robert T. McGibbonD.E. Shaw ResearchPreverjeni e-poštni naslov na DEShawResearch.com
Michael R. ShirtsProfessor of Chemical and Biological Engineering, University of Colorado BoulderPreverjeni e-poštni naslov na colorado.edu
Alexander Y GrosbergProfessor of Physics, New York UniversityPreverjeni e-poštni naslov na nyu.edu
John D. ChoderaMemorial Sloan-Kettering Cancer CenterPreverjeni e-poštni naslov na mskcc.org
Bharath RamsundarDeep Forest Sciences, DeepChem, previously Computable, previously StanfordPreverjeni e-poštni naslov na stanford.edu
Diwakar ShuklaAssociate Professor, University of Illinois at Urbana-ChampaignPreverjeni e-poštni naslov na illinois.edu
Bojan ZagrovicPreverjeni e-poštni naslov na univie.ac.at
Evan N. FeinbergStanford UniversityPreverjeni e-poštni naslov na stanford.edu
Christian SchwantesPreviously: Stanford UniversityPreverjeni e-poštni naslov na stanford.edu
TJ LaneGroup Leader, DESYPreverjeni e-poštni naslov na desy.de
Joe GomesUniversity of IowaPreverjeni e-poštni naslov na uiowa.edu
Young Min RheeKorea Advanced Institute of Science and TechnologyPreverjeni e-poštni naslov na kaist.ac.kr
Brooke E. HusicPrinceton UniversityPreverjeni e-poštni naslov na princeton.edu
Matthew P. HarriganGoogle ResearchPreverjeni e-poštni naslov na google.com
Mohammad Muneeb SultanabsciPreverjeni e-poštni naslov na absci.com
Peter KassonProfessor, Georgia Tech and University of Virginia and Wallenberg Academy Fellow, Uppsala UniversityPreverjeni e-poštni naslov na gatech.edu

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Vijay Pande

Andreessen Horowitz, Stanford University

Preverjeni e-poštni naslov na stanford.edu - Domača stran

AI protein folding drug design statistical mechanics


Naslov Razvrsti po navedbah Razvrsti po letniku Razvrsti po naslovu	Navedeno Navedeno	Leto
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	3614	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	3106	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	2464	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	2088	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	1898	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	1726	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	1564	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	1152	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	935	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	833	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	828	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	820	2010
Exploring the helix-coil transition via all-atom equilibrium ensemble simulations EJ Sorin, VS Pande Biophysical journal 88 (4), 2472-2493, 2005	818	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	770*	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	756	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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