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The Journal of Physical Chemistry. B|August 3, 2013
On the thermodynamics and kinetics of hydrophobic interactions at interfacesSrivathsan Vembanur, Amish J Patel, Sapna Sarupria, et al.
Nanomedicine (London, England)|December 6, 2021
Toward enzyme-responsive polymersome drug deliveryBipin Chakravarthy Paruchuri, Varun Gopal, Sapna Sarupria, et al.
The Journal of Chemical Physics|June 1, 2022
Practical guide to replica exchange transition interface sampling and forward flux samplingSteven W Hall, Grisell Díaz Leines, Sapna Sarupria, et al.
Journal of Chemical Information and Modeling|December 15, 2025
Solvent-Inclusive ML/MM Simulations: Assessments of Structural, Dynamical, and Thermodynamic AccuracyVarun Gopal, Clara Kirkvold, Adrian Gordon, et al.
Physical Chemistry Chemical Physics : PCCP|February 13, 2013
Exploiting the physicochemical properties of dendritic polymers for environmental and biological applicationsPriyanka Bhattacharya, Nicholas K Geitner, Sapna Sarupria, et al.
Journal of Chemical Theory and Computation|May 17, 2023
Alchemical Free Energy and Hamiltonian Replica Exchange Molecular Dynamics to Compute Hydrofluorocarbon Isotherms in Imidazolium-Based Ionic LiquidsNing Wang, Ryan S DeFever, Edward J Maginn
The Journal of Physical Chemistry Letters|September 21, 2020
Multivalent Surface Cations Enhance Heterogeneous Freezing of Water on Muscovite MicaNurun Nahar Lata, Jiarun Zhou, Pearce Hamilton, et al.
The Journal of Chemical Physics|July 10, 2020
Melting points of alkali chlorides evaluated for a polarizable and non-polarizable modelRyan S DeFever, Haimeng Wang, Yong Zhang, et al.
Journal of Visualized Experiments : Jove|April 30, 2019
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular DynamicsCameron J Bodenschatz, Xiaohong Zhang, Tianjun Xie, et al.
The Journal of Physical Chemistry. B|December 8, 2025
Thermodynamic Basis of Sugar-Dependent Polymer Stabilization: Informing Biologic Formulation DesignPraveen Muralikrishnan, Jonathan W P Zajac, Caryn L Heldt, et al.
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