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Journal of Computational Chemistry|December 7, 2010
Computing ensembles of transitions from stable states: Dynamic importance samplingJuan R Perilla, Oliver Beckstein, Elizabeth J Denning, et al.Journal of Computational Chemistry|October 16, 2010
The temperature intervals with global exchange of replicas empirical accelerated sampling method: parameter sensitivity and extension to a complex molecular systemXianfeng Li, Robert A LatourJournal of Computational Chemistry|October 16, 2010
Crystal molecular dynamics simulations to speed up MM/PB(GB)SA evaluation of binding free energies of di-mannose deoxy analogs with P51G-m4-Cyanovirin-NIvan I Vorontsov, Osamu MiyashitaJournal of Computational Chemistry|October 16, 2010
Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from dockingTingjun Hou, Junmei Wang, Youyong Li, et al.Journal of Computational Chemistry|April 5, 2013
On the vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeFAggelos Avramopoulos, Heribert Reis, Josep M Luis, et al.Journal of Computational Chemistry|April 9, 2013
The adaptive hierarchical expansion of the kinetic energy operatorDaniel Strobusch, Mathias Nest, Christoph ScheurerJournal of Computational Chemistry|February 7, 2013
PHI: a powerful new program for the analysis of anisotropic monomeric and exchange-coupled polynuclear d- and f-block complexesNicholas F Chilton, Russell P Anderson, Lincoln D Turner, et al.Journal of Computational Chemistry|February 7, 2013
Nonrandom adsorption of polyelectrolyte chains on finite regularly charged surfacesSandra C C Nunes, P Pinto, A A C C PaisJournal of Computational Chemistry|February 7, 2013
Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds?Krystel El Hage, Jean-Philip Piquemal, Zeina Hobaika, et al.Pageof 595