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Vijay Pande
AD Scientific Index 2024
Natural Sciences / Chemical Sciences
Stanford University - Stanford / United States
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Vijay Pande's MOST POPULAR ARTICLES
1-)
CHARMM-GUI input generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM simulations using the CHARMM36 additive force fieldJ Lee, X Cheng, JM Swails, MS Yeom, PK Eastman, JA Lemkul, S Wei, ...Journal of chemical theory and computation 12 (1), 405-413, 201618882016
2-)
MoleculeNet: a benchmark for molecular machine learningZ Wu, B Ramsundar, EN Feinberg, J Gomes, C Geniesse, AS Pappu, ...Chemical science 9 (2), 513-530, 201813792018
3-)
OpenMM 7: Rapid development of high performance algorithms for molecular dynamicsP Eastman, J Swails, JD Chodera, RT McGibbon, Y Zhao, KA Beauchamp, ...PLoS computational biology 13 (7), e1005659, 201714952017
4-)
MDTraj: a modern open library for the analysis of molecular dynamics trajectoriesRT McGibbon, KA Beauchamp, MP Harrigan, C Klein, JM Swails, ...Biophysical journal 109 (8), 1528-1532, 201518212015
5-)
Molecular graph convolutions: moving beyond fingerprintsS Kearnes, K McCloskey, M Berndl, V Pande, P RileyJournal of computer-aided molecular design 30, 595-608, 201617062016
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