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Biophysical Journal|December 24, 2002
Molecular dynamics study of Desulfovibrio africanus cytochrome c3 in oxidized and reduced formsCéline Bret, Michel Roth, Sofie Nørager, et al.Journal of the American Chemical Society|November 6, 2009
Photoconversion of the fluorescent protein EosFP: a hybrid potential simulation study reveals intersystem crossingsMickaël Lelimousin, Virgile Adam, G Ulrich Nienhaus, et al.Proteins|April 17, 2008
A QM/MM study of proton transport pathways in a [NiFe] hydrogenaseIgnacio Fdez Galván, Anne Volbeda, Juan C Fontecilla-Camps, et al.Biophysical Journal|February 21, 2012
Dynamics-stability relationships in apo- and holomyoglobin: a combined neutron scattering and molecular dynamics simulations studyAndreas Maximilian Stadler, Eric Pellegrini, Mark Johnson, et al.The Journal of Physical Chemistry. B|April 12, 2014
Hydrolysis of DFP and the nerve agent (S)-sarin by DFPase proceeds along two different reaction pathways: implications for engineering bioscavengersTroy Wymore, Martin J Field, Paul Langan, et al.Chemico-Biological Interactions|February 27, 2003
Initial catalytic events in class 3 aldehyde dehydrogenase: MM and QM/MM simulationsTroy Wymore, David W Deerfield, Martin J Field, et al.The Journal of Physical Chemistry. B|May 20, 2016
Hybrid Potential Simulation of the Acylation of Enterococcus faecium l,d-Transpeptidase by CarbapenemsNicholus Bhattacharjee, Martin J Field, Jean-Pierre Simorre, et al.Proteins|April 7, 2017
Norovirus RNA-dependent RNA polymerase: A computational study of metal-binding preferencesMd Munan Shaik, Nicholus Bhattacharjee, Mikolaj Feliks, et al.The Journal of Physical Chemistry. B|February 9, 2007
New insights into the reaction mechanism catalyzed by the glutamate racemase enzyme: pH titration curves and classical molecular dynamics simulationsEduard Puig, Mireia Garcia-Viloca, Angels Gonzalez-Lafont, et al.The Journal of Physical Chemistry. B|May 15, 2014
Electronic structure and hydration of tetramine cobalt hydride complexesAnirban Bhattacharjee, Alexander K H Weiss, Vincent Artero, et al.Pageof 8