Martin J. Field - researchr alias

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Viewing Publication 1 - 10 from 10

2022

pDynamo3 Molecular Modeling and Simulation ProgramMartin J. Field. jcisd, 62(23):5849-5854, 2022. [doi]

2020

Modeling the Hydrolysis of Iron-Sulfur ClustersMurilo H. Teixeira, Felipe Curtolo, Sofia R. G. Camilo, Martin J. Field, Peng Zheng, Hongbin Li, Guilherme Menegon Arantes. jcisd, 60(2):653-660, 2020. [doi]

2015

Pcetk: A pDynamo-based Toolkit for Protonation State Calculations in ProteinsMikolaj Feliks, Martin J. Field. jcisd, 55(10):2288-2296, 2015. [doi]

2013

GTKDynamo: A PyMOL plug-in for QC/MM hybrid potential simulationsJosé Fernando R. Bachega, Luís Fernando S. M. Timmers, Lucas Assirati, Leonardo R. Bachega, Martin J. Field, Troy Wymore. jcc, 34(25):2190-2196, 2013. [doi]

2008

Improving the efficiency of the NEB reaction path finding algorithmIgnacio Fdez. Galván, Martin J. Field. jcc, 29(1):139-143, 2008. [doi]

2003

Development and testing of a de novo drug-design algorithmEric Pellegrini, Martin J. Field. jcamd, 17(10):621-641, 2003.

2002

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, François Major. jcamd, 16(8-9):635-651, 2002. [doi]

Simulating enzyme reactions: Challenges and perspectivesMartin J. Field. jcc, 23(1):48-58, 2002. [doi]

2000

The dynamo library for molecular simulations using hybrid quantum mechanical and molecular mechanical potentialsMartin J. Field, Marc Albe, Céline Bret, Flavien Proust-De Martin, Aline Thomas. jcc, 21(12):1088-1100, 2000. [doi]

1997

Basis set approach to solution of poisson equation for small molecules immersed in solventLaurent David, Martin J. Field. jcc, 18(3):343-350, 1997. [doi]

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