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Journal of Molecular Graphics & Modelling|June 14, 2005
An implementation of the nudged elastic band algorithm and application to the reaction mechanism of HGXPRTase from Plasmodium falciparumRamon Crehuet, Aline Thomas, Martin J FieldProteins|July 6, 2010
Pentacoordinated phosphorus revisited by high-level QM/MM calculationsEnrique Marcos, Martin J Field, Ramon CrehuetJournal of Chemical Theory and Computation|November 19, 2015
Simple Link Atom Saccharide Hybrid (SLASH) Treatment for Glycosidic Bonds at the QM/MM BoundaryWerner Crous, Martin J Field, Kevin J NaidooJournal of the American Chemical Society|November 2, 2011
The nature of transient dark states in a photoactivatable fluorescent proteinArijit Roy, Martin J Field, Virgile Adam, et al.The Journal of Physical Chemistry. B|April 28, 2009
A minima hopping study of all-atom protein folding and structure predictionShantanu Roy, Stefan Goedecker, Martin J Field, et al.Journal of the American Chemical Society|February 9, 2010
Editing mechanism of aminoacyl-tRNA synthetases operates by a hybrid ribozyme/protein catalystYohsuke Hagiwara, Martin J Field, Osamu Nureki, et al.Journal of Computer-Aided Molecular Design|February 27, 2003
Parametrization of a force field for metals complexed to biomacromolecules: applications to Fe(II), Cu(II) and Pb(II)Laurent David, Patricia Amara, Martin J Field, et al.Nature Communications|June 26, 2015
Force-induced chemical reactions on the metal centre in a single metalloprotein moleculePeng Zheng, Guilherme M Arantes, Martin J Field, et al.Biochemistry|June 14, 2006
A computational study of the deacylation mechanism of human butyrylcholinesteraseDimas Suárez, Natalia Díaz, Juan Fontecilla-Camps, et al.Chemcatchem|July 4, 2017
Proton reduction reaction catalyzed by homoleptic nickel bis-1,2-dithiolate complexes: Experimental and theoretical mechanistic investigationsAthanasios Zarkadoulas, Martin J Field, Vincent Artero, et al.Pageof 8