Vijay S. Pande
William & Mary(US)Stanford University(US)
Publications by Year
Research Areas
Protein Structure and Dynamics, Enzyme Structure and Function, RNA and protein synthesis mechanisms, Computational Drug Discovery Methods, Spectroscopy and Quantum Chemical Studies
Most-Cited Works
- → CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field(2015)4,143 cited
- → MoleculeNet: a benchmark for molecular machine learning(2017)2,816 cited
- → OpenMM 7: Rapid development of high performance algorithms for molecular dynamics(2017)2,676 cited
- → MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories(2015)2,472 cited
- → Molecular graph convolutions: moving beyond fingerprints(2016)1,665 cited
- → Current Status of the AMOEBA Polarizable Force Field(2010)1,457 cited
- → Markov State Models: From an Art to a Science(2018)919 cited