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The Journal of Physical Chemistry. B|October 24, 2018
Maximizing Kinetic Information Gain of Markov State Models for Optimal Design of Spectroscopy ExperimentsShriyaa Mittal, Diwakar ShuklaThe Journal of Physical Chemistry. B|July 21, 2017
Predicting Optimal DEER Label Positions to Study Protein Conformational HeterogeneityShriyaa Mittal, Diwakar ShuklaPhysical Chemistry Chemical Physics : PCCP|February 9, 2023
Reconciling membrane protein simulations with experimental DEER spectroscopy dataShriyaa Mittal, Soumajit Dutta, Diwakar ShuklaACS Central Science|October 3, 2018
Free Energy Landscape of the Complete Transport Cycle in a Key Bacterial TransporterBalaji Selvam, Shriyaa Mittal, Diwakar ShuklaThe Journal of Physical Chemistry Letters|April 27, 2019
Dodine as a Kosmo-Chaotropic AgentDrishti Guin, Shriyaa Mittal, Brian Bozymski, et al.Biophysical Journal|May 4, 2024
Simulations predict preferred Mg2+ coordination in a nonenzymatic primer-extension reaction centerShriyaa Mittal, Collin Nisler, Jack W SzostakThe Biochemical Journal|April 29, 2022
Integration of machine learning with computational structural biology of plantsJiming Chen, Diwakar ShuklaLangmuir : the ACS Journal of Surfaces and Colloids|November 1, 2006
Modeling shell formation in core-shell nanocrystals in reverse micelle systemsDiwakar Shukla, Anurag MehraElife|November 3, 2025
Characterization of binding kinetics and intracellular signaling of new psychoactive substances targeting cannabinoid receptor using transition-based reweighting methodSoumajit Dutta, Diwakar ShuklaBiorxiv : the Preprint Server for Biology|October 24, 2023
Characterization of binding kinetics and intracellular signaling of new psychoactive substances targeting cannabinoid receptor using transition-based reweighting methodSoumajit Dutta, Diwakar ShuklaPageof 15