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Biomacromolecules|August 21, 2023
Development, Validation, and Applications of Nonbonded Interaction Parameters between Coarse-Grained Amino Acid and Water ModelsEsmat Mohammadi, Soumil Y Joshi, Sanket A DeshmukhPhysical Chemistry Chemical Physics : PCCP|October 19, 2012
Atomic scale characterization of interfacial water near an oxide surface using molecular dynamics simulationsSanket A Deshmukh, Subramanian K R S SankaranarayananJournal of Chemical Theory and Computation|September 23, 2025
Development of Transferable Coarse-Grained Lipid Models with Optimized Structural and Elastic Membrane PropertiesSoumil Y Joshi, Teshani Kumarage, Rana Ashkar, et al.Soft Matter|May 22, 2014
Comparison of the interfacial dynamics of water sandwiched between static and free-standing fully flexible graphene sheetsSanket A Deshmukh, Ganesh Kamath, Subramanian K R S SankaranarayananJournal of Physics. Condensed Matter : an Institute of Physics Journal|July 4, 2013
Comparison of select polarizable and non-polarizable water models in predicting solvation dynamics of water confined between MgO slabsGanesh Kamath, Sanket A Deshmukh, Subramanian K R S SankaranarayananThe Journal of Physical Chemistry. B|April 12, 2012
Vibrational spectra of proximal water in a thermo-sensitive polymer undergoing conformational transition across the lower critical solution temperatureSanket A Deshmukh, Subramanian K R S Sankaranarayanan, Derrick C ManciniThe Journal of Biological Chemistry|January 4, 2024
Probing the role of protein conformational changes in the mechanism of prenylated-FMN-dependent phenazine-1-carboxylic acid decarboxylasePrathamesh M Datar, Soumil Y Joshi, Sanket A Deshmukh, et al.The Journal of Physical Chemistry. B|February 3, 2012
Role of solvation dynamics and local ordering of water in inducing conformational transitions in poly(N-isopropylacrylamide) oligomers through the LCSTSanket A Deshmukh, Subramanian K R S Sankaranarayanan, Kamlesh Suthar, et al.Angewandte Chemie (International Ed. in English)|May 17, 2023
Supramolecular Peptide Nanostructures Regulate Catalytic Efficiency and SelectivityZhao Li, Soumil Y Joshi, Yin Wang, et al.Journal of Chemical Theory and Computation|September 27, 2023
Data Driven Discovery of MOFs for Hydrogen Gas AdsorptionSamrendra K Singh, Abhishek T Sose, Fangxi Wang, et al.Pageof 7