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Disambiguation of "Tiwary, Pratyush"

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Computing committors in collective variables via Mahalanobis diffusion maps.

, , and . CoRR, (2021)

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Sushil Kumar Tiwary

Hans Raj Tiwary

Pratyush Das Kanungo

 

Other publications of authors with the same name

Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE), , , and . (2018)cite arxiv:1802.03420.Computing committors via Mahalanobis diffusion maps with enhanced sampling data., , and . CoRR, (2022)Path sampling of recurrent neural networks by incorporating known physics., , and . CoRR, (2022)From Metadynamics to Dynamics, and . Phys. Rev. Lett., 111 (23): 230602 (December 2013)Introducing dynamical constraints into representation learning., , , and . CoRR, (2022)Exploring Kinase Asp-Phe-Gly (DFG) Loop Conformational Stability with AlphaFold2-RAVE., , and . J. Chem. Inf. Model., 64 (7): 2789-2797 (2024)Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention., , , and . J. Chem. Inf. Model., 64 (7): 2637-2644 (2024)Unbinding kinetics of a p38 MAP kinase type II inhibitor from metadynamics simulations, , , , and . Journal of the American Chemical Society, (2017)PMID: 28290199.How and when does an anticancer drug leave its binding site?, , and . Science Advances, (2017)Spectral gap optimization of order parameters for sampling complex molecular systems, and . Proceedings of the National academy of Sciences of the United States of America, 113 (11): 2839-2844 (2016)