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Journal of Chemical Theory and Computation|May 24, 2018
A Probabilistic Framework for Constructing Temporal Relations in Replica Exchange Molecular TrajectoriesAditya Chattopadhyay, Min Zheng, Mark P Waller, et al.Journal of the American Chemical Society|October 5, 2017
Role of Urea-Aromatic Stacking Interactions in Stabilizing the Aromatic Residues of the Protein in Urea-Induced Denatured StateSiddharth Goyal, Aditya Chattopadhyay, Koushik Kasavajhala, et al.Scientific Reports|June 21, 2019
Energetic, Structural and Dynamic Properties of Nucleobase-Urea Interactions that Aid in Urea Assisted RNA UnfoldingTanashree Jaganade, Aditya Chattopadhyay, Nila M Pazhayam, et al.The Journal of Physical Chemistry. B|July 10, 2010
Atomistic details of the ligand discrimination mechanism of S(MK)/SAM-III riboswitchU Deva PriyakumarJournal of Biomolecular Structure & Dynamics|February 2, 2012
Role of hydrophobic core on the thermal stability of proteins - molecular dynamics simulations on a single point mutant of Sso7d abstractU Deva PriyakumarThe Journal of Physical Chemistry. B|May 2, 2015
Ion hydration dynamics in conjunction with a hydrophobic gating mechanism regulates ion permeation in p7 viroporin from hepatitis C virusSiladitya Padhi, U Deva PriyakumarPhysical Chemistry Chemical Physics : PCCP|July 24, 2014
DNA-RNA hybrid duplexes with decreasing pyrimidine content in the DNA strand provide structural snapshots for the A- to B-form conformational transition of nucleic acidsGorle Suresh, U Deva PriyakumarThe Journal of Physical Chemistry. B|May 22, 2014
Atomistic investigation of the effect of incremental modification of deoxyribose sugars by locked nucleic acid (β-D-LNA and α-L-LNA) moieties on the structures and thermodynamics of DNA-RNA hybrid duplexesGorle Suresh, U Deva PriyakumarThe Journal of Physical Chemistry. B|April 26, 2016
Cooperation of Hydrophobic Gating, Knock-on Effect, and Ion Binding Determines Ion Selectivity in the p7 ChannelSiladitya Padhi, U Deva PriyakumarBiochimica Et Biophysica Acta. Biomembranes|October 31, 2016
Microsecond simulation of human aquaporin 2 reveals structural determinants of water permeability and selectivitySiladitya Padhi, U Deva PriyakumarPageof 217