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The Journal of Physical Chemistry. B|July 31, 2007
Binding of calcium and other metal ions to the EF-hand loops of calmodulin studied by quantum chemical calculations and molecular dynamics simulationsMartin Lepsík, Martin J FieldJournal of the American Chemical Society|August 3, 2006
A comparative QM/MM simulation study of the reaction mechanisms of human and Plasmodium falciparum HG(X)PRTasesAline Thomas, Martin J FieldThe Journal of Physical Chemistry. B|May 4, 2007
A transition path sampling study of the reaction catalyzed by the enzyme chorismate mutaseRamon Crehuet, Martin J FieldProteins|February 8, 2005
Molecular dynamics simulations of human butyrylcholinesteraseDimas Suárez, Martin J FieldBiophysical Journal|December 4, 2003
A computational study of the open and closed forms of the N-lobe human serum transferrin apoproteinDavid Rinaldo, Martin J FieldJournal of the American Chemical Society|October 17, 2002
Reaction mechanism of the HGXPRTase from Plasmodium falciparum: a hybrid potential quantum mechanical/molecular mechanical studyAline Thomas, Martin J FieldThe Journal of Physical Chemistry. A|September 10, 2015
Ferric-Thiolate Bond Dissociation Studied with Electronic Structure CalculationsGuilherme Menegon Arantes, Martin J FieldJournal of Computational Chemistry|June 5, 2007
Improving the efficiency of the NEB reaction path finding algorithmIgnacio Fdez Galván, Martin J FieldJournal of Chemical Information and Modeling|January 26, 2005
Use of structure descriptors to discriminate between modes of toxic action of phenolsSimon Spycher, Eric Pellegrini, Johann GasteigerProteins|August 29, 2003
Understanding the acylation mechanisms of active-site serine penicillin-recognizing proteins: a molecular dynamics simulation studyMónica Oliva, Otto Dideberg, Martin J FieldPageof 8