Vijay Pande

Dikutip oleh

	Semua	Sejak 2020
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Akses publik

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204 artikel

7 artikel

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Kyle A. BeauchampStanford, Tempus,Email yang diverifikasi di tempus.com
Gregory R. BowmanProfessor, University of PennsylvaniaEmail yang diverifikasi di seas.upenn.edu
Lee-Ping WangDepartment of Chemistry, UC DavisEmail yang diverifikasi di ucdavis.edu
Christopher D. SnowProfessor of Chemical and Biological Engineering, Colorado State UniversityEmail yang diverifikasi di colostate.edu
Robert T. McGibbonD.E. Shaw ResearchEmail yang diverifikasi di DEShawResearch.com
Michael R. ShirtsProfessor of Chemical and Biological Engineering, University of Colorado BoulderEmail yang diverifikasi di colorado.edu
Alexander Y GrosbergProfessor of Physics, New York UniversityEmail yang diverifikasi di nyu.edu
John D. ChoderaMemorial Sloan-Kettering Cancer CenterEmail yang diverifikasi di mskcc.org
Bharath RamsundarDeep Forest Sciences, DeepChem, previously Computable, previously StanfordEmail yang diverifikasi di stanford.edu
Diwakar ShuklaAssociate Professor, University of Illinois at Urbana-ChampaignEmail yang diverifikasi di illinois.edu
Bojan ZagrovicEmail yang diverifikasi di univie.ac.at
Evan N. FeinbergStanford UniversityEmail yang diverifikasi di stanford.edu
Christian SchwantesPreviously: Stanford UniversityEmail yang diverifikasi di stanford.edu
TJ LaneGroup Leader, DESYEmail yang diverifikasi di desy.de
Joe GomesUniversity of IowaEmail yang diverifikasi di uiowa.edu
Young Min RheeKorea Advanced Institute of Science and TechnologyEmail yang diverifikasi di kaist.ac.kr
Brooke E. HusicPrinceton UniversityEmail yang diverifikasi di princeton.edu
Matthew P. HarriganGoogle ResearchEmail yang diverifikasi di google.com
Mohammad Muneeb SultanabsciEmail yang diverifikasi di absci.com
Peter KassonProfessor, Georgia Tech and University of Virginia and Wallenberg Academy Fellow, Uppsala UniversityEmail yang diverifikasi di gatech.edu

Ikuti

Vijay Pande

Andreessen Horowitz, Stanford University

Email yang diverifikasi di stanford.edu - Beranda

AI protein folding drug design statistical mechanics


Judul Urutkan menurut kutipan Urutkan menurut tahun Urutkan menurut judul	Dikutip oleh Dikutip oleh	Tahun
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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