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Biointerphases|May 17, 2012
Comparison between empirical protein force fields for the simulation of the adsorption behavior of structured LK peptides on functionalized surfacesGalen Collier, Nadeem A Vellore, Jeremy A Yancey, et al.Biointerphases|December 22, 2010
Development of molecular simulation methods to accurately represent protein-surface interactions: The effect of pressure and its determination for a system with constrained atomsJeremy A Yancey, Nadeem A Vellore, Galen Collier, et al.The Journal of Physical Chemistry. B|November 17, 2006
Physical adsorption strength in open systemsM Todd Knippenberg, Steven J Stuart, Alan C Cooper, et al.The Journal of Chemical Physics|November 20, 2004
Parallel replica dynamics with a heterogeneous distribution of barriers: application to n-hexadecane pyrolysisOyeon Kum, Brad M Dickson, Steven J Stuart, et al.Journal of Computational Chemistry|June 14, 2016
Cluster analysis of molecular simulation trajectories for systems where both conformation and orientation of the sampled states are importantTigran M Abramyan, James A Snyder, Aby A Thyparambil, et al.The Journal of Physical Chemistry. B|July 21, 2006
Molecular dynamics simulations on the effects of diameter and chirality on hydrogen adsorption in single walled carbon nanotubesHansong Cheng, Alan C Cooper, Guido P Pez, et al.The Journal of Chemical Physics|May 8, 2012
Bond-order potentials with split-charge equilibration: application to C-, H-, and O-containing systemsM Todd Knippenberg, Paul T Mikulski, Kathleen E Ryan, et al.Biointerphases|September 4, 2012
Development of a tuned interfacial force field parameter set for the simulation of protein adsorption to silica glassJames A Snyder, Tigran Abramyan, Jeremy A Yancey, et al.Biointerphases|March 31, 2015
Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethyleneTigran M Abramyan, James A Snyder, Jeremy A Yancey, et al.The Journal of Chemical Physics|November 6, 2007
An improved replica-exchange sampling method: temperature intervals with global energy reassignmentXianfeng Li, Christopher P O'Brien, Galen Collier, et al.Pageof 4