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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.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|August 12, 2017
The surface charge distribution affects the ice nucleating efficiency of silver iodideBrittany Glatz, Sapna SarupriaPhysical Review Letters|August 8, 2009
Quantifying water density fluctuations and compressibility of hydration shells of hydrophobic solutes and proteinsSapna Sarupria, Shekhar GardeLangmuir : the ACS Journal of Surfaces and Colloids|October 12, 2017
Heterogeneous Ice Nucleation: Interplay of Surface Properties and Their Impact on Water OrientationsBrittany Glatz, Sapna SarupriaThe Journal of Physical Chemistry. B|March 4, 2021
Advancing Rational Control of Peptide-Surface ComplexesSiva Dasetty, Sapna SarupriaThe Journal of Chemical Physics|January 17, 2019
Contour forward flux sampling: Sampling rare events along multiple collective variablesRyan S DeFever, Sapna SarupriaThe Journal of Physical Chemistry Letters|August 21, 2015
Homogeneous Nucleation of Methane Hydrate in Microsecond Molecular Dynamics SimulationsSapna Sarupria, Pablo G DebenedettiPhysical Chemistry Chemical Physics : PCCP|September 24, 2015
Association of small aromatic molecules with PAMAM dendrimersRyan S DeFever, Sapna SarupriaThe Journal of Physical Chemistry. A|March 25, 2011
Molecular dynamics study of carbon dioxide hydrate dissociationSapna Sarupria, Pablo G DebenedettiPageof 4