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The Journal of Physical Chemistry. A|August 31, 2022
Density Fitting for QC/MM InteractionsMartin J FieldJournal of Chemical Information and Modeling|November 30, 2022
pDynamo3 Molecular Modeling and Simulation ProgramMartin J FieldJournal of Computational Chemistry|March 27, 2002
Simulating enzyme reactions: challenges and perspectivesMartin J FieldJournal of Chemical Theory and Computation|December 5, 2015
The pDynamo Program for Molecular Simulations using Hybrid Quantum Chemical and Molecular Mechanical PotentialsMartin J FieldJournal of Chemical Theory and Computation|April 7, 2017
An Algorithm for Adaptive QC/MM SimulationsMartin J FieldArchives of Biochemistry and Biophysics|March 17, 2015
Technical advances in molecular simulation since the 1980sMartin J FieldJournal of the American Chemical Society|January 15, 2004
Insights into the phosphoryl-transfer mechanism of cAMP-dependent protein kinase from quantum chemical calculations and molecular dynamics simulationsNatalia Díaz, Martin J FieldThe 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 FieldPageof 8