Payel Das
Rice University(US)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Protein Structure and Dynamics, Machine Learning in Materials Science, Topic Modeling, Adversarial Robustness in Machine Learning
Most-Cited Works
- → Large-scale chemical language representations capture molecular structure and properties(2022)417 cited
- → Low-dimensional, free-energy landscapes of protein-folding reactions by nonlinear dimensionality reduction(2006)338 cited
- → Explanations based on the Missing: Towards Contrastive Explanations with\n Pertinent Negatives(2018)174 cited
- → Aggregation of γ-crystallins associated with human cataracts via domain swapping at the C-terminal β-strands(2011)135 cited
- → Balancing energy and entropy: A minimalist model for the characterization of protein folding landscapes(2005)101 cited
- → Single Mutation Induced H3N2 Hemagglutinin Antibody Neutralization: A Free Energy Perturbation Study(2008)95 cited
- → Accurate clinical toxicity prediction using multi-task deep neural nets and contrastive molecular explanations(2023)89 cited
- → Active learning of deep surrogates for PDEs: application to metasurface design(2020)87 cited
- → Free energy simulations reveal a double mutant avian H5N1 virus hemagglutinin with altered receptor binding specificity(2009)82 cited