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Journal of Computational Chemistry|October 22, 2019
Local conformational dynamics regulating transport properties of a Cl- /H+ antiporterZhi Wang, Jessica M J Swanson, Gregory A VothPhysical Chemistry Chemical Physics : PCCP|September 28, 2018
Ice-binding site of surface-bound type III antifreeze protein partially decoupled from waterDominique Verreault, Sarah Alamdari, Steven J Roeters, et al.Biointerphases|May 21, 2017
Determining dominant driving forces affecting controlled protein release from polymeric nanoparticlesJosh Smith, Kayla G Sprenger, Rick Liao, et al.The Journal of Physical Chemistry. B|February 29, 2024
Thermodynamic Analysis of Silk Fibroin-Graphite Hybrid Materials and Their MorphologyMarlo Zorman, Christian Phillips, Chenyang Shi, et al.Proteins|February 3, 2015
Molecular dynamics investigation of the ionic liquid/enzyme interface: application to engineering enzyme surface chargePatrick R Burney, Erik M Nordwald, Katie Hickman, et al.Physical Chemistry Chemical Physics : PCCP|March 13, 2009
Effective force coarse-grainingYanting Wang, W G Noid, Pu Liu, et al.Journal of Chemical Theory and Computation|March 28, 2017
Simulating Protein Mediated Hydrolysis of ATP and Other Nucleoside Triphosphates by Combining QM/MM Molecular Dynamics with Advances in MetadynamicsRui Sun, Olaseni Sode, James F Dama, et al.The Journal of Chemical Physics|January 11, 2005
A bond-order analysis of the mechanism for hydrated proton mobility in liquid waterHadas Lapid, Noam Agmon, Matt K Petersen, et al.The Journal of Chemical Physics|May 23, 2012
The multiscale coarse-graining method. X. Improved algorithms for constructing coarse-grained potentials for molecular systemsAvisek Das, Lanyuan Lu, Hans C Andersen, et al.Journal of Chemical Theory and Computation|November 22, 2015
Solvent Free Ionic Solution Models from Multiscale Coarse-GrainingZhen Cao, James F Dama, Lanyuan Lu, et al.Pageof 60