Sukanya Sasmal
4PUBLICATIONS
7CO-AUTHORS
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Publications (4)
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|Apr 03, 2021
Configurational Entropy of Folded Proteins and Its Importance for Intrinsically Disordered Proteins.Meili Liu, Akshaya K Das, James Lincoff
|Feb 15, 2020
Sampling Conformational Changes of Bound Ligands Using Nonequilibrium Candidate Monte Carlo and Molecular Dynamics.Sukanya Sasmal, Samuel C Gill, Nathan M Lim
|Nov 30, 2019
D3R Grand Challenge 4: ligand similarity and MM-GBSA-based pose prediction and affinity ranking for BACE-1 inhibitors.Sukanya Sasmal, Léa El Khoury, David L Mobley
|Nov 07, 2019
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4.Léa El Khoury, Diogo Santos-Martins, Sukanya Sasmal
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