Showing results (11-20 of 39) with videos related to
Sort By:
Pageof 4
The Journal of Chemical Physics|December 3, 2017
Nucleation mechanism of clathrate hydrates of water-soluble guest moleculesRyan S DeFever, Sapna SarupriaJournal of Chemical Theory and Computation|April 14, 2025
LeaPP: Learning Pathways to Polymorphs through Machine Learning Analysis of Atomic TrajectoriesSteven W Hall, Porhouy Minh, Sapna SarupriaThe Journal of Physical Chemistry. B|May 2, 2008
Enthalpy-entropy contributions to salt and osmolyte effects on molecular-scale hydrophobic hydration and interactionsManoj V Athawale, Sapna Sarupria, Shekhar GardeSoft Matter|February 22, 2019
Adsorption of amino acids on graphene: assessment of current force fieldsSiva Dasetty, John K Barrows, Sapna SarupriaProteins|February 11, 2010
Studying pressure denaturation of a protein by molecular dynamics simulationsSapna Sarupria, Tuhin Ghosh, Angel E García, et al.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.The Journal of Physical Chemistry Letters|June 24, 2024
CatEmbed: A Machine-Learned Representation Obtained via Categorical Entity Embedding for Predicting Adsorption and Reaction Energies on Bimetallic Alloy SurfacesClara Kirkvold, Brianna A Collins, Jason D GoodpasterJournal of Chemical Information and Modeling|March 2, 2019
Free Energies of Catalytic Species Adsorbed to Pt(111) Surfaces under Liquid Solvent Calculated Using Classical and Quantum ApproachesXiaohong Zhang, Ryan S DeFever, Sapna Sarupria, et al.Inorganic Chemistry|October 24, 2018
Ligand-Centered Borenium Reactivity in Triaminoborane-Bridged Diphosphine ComplexesKyounghoon Lee, Clara Kirkvold, Bess Vlaisavljevich, 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.Pageof 4