Vijay Pande

Bayesian comparison of Markov models of molecular dynamics with detailed balance constraint.

John D Chodera, Sergio Bacallado, Vijay Pande, 2009, The Journal of chemical physics.

Is Multitask Deep Learning Practical for Pharma?

Andreas Verras, Bharath Ramsundar, Robert P Sheridan, 2017, J. Chem. Inf. Model..

Accelerated Molecular Dynamics Simulations with the AMOEBA Polarizable Force Field on Graphics Processing Units

J. Andrew McCammon, Steffen Lindert, Peter Eastman, 2013, Journal of chemical theory and computation.

Modeling Industrial ADMET Data with Multitask Networks

Brian Goldman, Brian B. Goldman, Vijay Pande, 2016, 1606.08793.

MoleculeNet: a benchmark for molecular machine learning† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc02664a

Joseph Gomes, Bharath Ramsundar, Karl Leswing, 2017, Chemical science.

Inside the chaperonin toolbox: theoretical and computational models for chaperonin mechanism

Vijay Pande, Jeremy L. England, Jeremy England, 2009, Physical biology.

A Fast Geometric Clustering Method on Conformation Space of Biomolecules

Leonidas J. Guibas, Yuan Yao, Gunnar Carlsson, 2009 .

Rapid compaction during RNA folding

Sebastian Doniach, Daniel Herschlag, Mark W Tate, 2002, Proceedings of the National Academy of Sciences of the United States of America.

Quercitrin and quercetin 3-&bgr;-D-glucoside as chemical chaperones for the A4V SOD1 ALS-causing mutant

Vijay Pande, Avijit Chakrabartty, V. Pande, 2017, Protein engineering, design & selection : PEDS.