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Journal of Chemical Theory and Computation|March 5, 2019
Combining Iteration-Free Polarization with Large Time Step Stochastic-Isokinetic IntegrationAlex Albaugh, Mark E Tuckerman, Teresa Head-GordonJournal of Chemical Theory and Computation|October 3, 2017
A New Method for Treating Drude Polarization in Classical Molecular SimulationAlex Albaugh, Teresa Head-GordonThe Journal of Chemical Physics|November 9, 2015
An efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual inductionAlex Albaugh, Omar Demerdash, Teresa Head-GordonThe Journal of Physical Chemistry Letters|March 29, 2017
Accurate Classical Polarization Solution with No Self-Consistent Field IterationsAlex Albaugh, Anders M N Niklasson, Teresa Head-GordonJournal of Chemical Theory and Computation|January 10, 2018
Higher-Order Extended Lagrangian Born-Oppenheimer Molecular Dynamics for Classical Polarizable ModelsAlex Albaugh, Teresa Head-Gordon, Anders M N NiklassonThe Journal of Chemical Physics|April 8, 2017
Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theoryValerio Vitale, Jacek Dziedzic, Alex Albaugh, et al.Plos Computational Biology|August 5, 2011
The dynamical mechanism of auto-inhibition of AMP-activated protein kinaseCheng Peng, Teresa Head-GordonJournal of Computational Chemistry|December 17, 2002
Cool walking: a new Markov chain Monte Carlo sampling methodScott Brown, Teresa Head-GordonJournal of Chemical Theory and Computation|December 3, 2015
An Analytical Electrostatic Model for Salt Screened Interactions between Multiple ProteinsItay Lotan, Teresa Head-GordonStructure (London, England : 1993)|December 9, 2014
A monte carlo method for generating side chain structural ensemblesAsmit Bhowmick, Teresa Head-GordonPageof 32