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Martin J. Field
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2020 – today
- 2022
- [j10]Martin J. Field
:
pDynamo3 Molecular Modeling and Simulation Program. J. Chem. Inf. Model. 62(23): 5849-5854 (2022) - 2020
- [j9]Murilo H. Teixeira
, Felipe Curtolo
, Sofia R. G. Camilo, Martin J. Field
, Peng Zheng
, Hongbin Li
, Guilherme Menegon Arantes
:
Modeling the Hydrolysis of Iron-Sulfur Clusters. J. Chem. Inf. Model. 60(2): 653-660 (2020)
2010 – 2019
- 2015
- [j8]Mikolaj Feliks, Martin J. Field:
Pcetk: A pDynamo-based Toolkit for Protonation State Calculations in Proteins. J. Chem. Inf. Model. 55(10): 2288-2296 (2015) - 2013
- [j7]José Fernando R. Bachega, Luís Fernando S. M. Timmers, Lucas Assirati, Leonardo R. Bachega, Martin J. Field, Troy Wymore:
GTKDynamo: A PyMOL plug-in for QC/MM hybrid potential simulations. J. Comput. Chem. 34(25): 2190-2196 (2013)
2000 – 2009
- 2008
- [j6]Ignacio Fdez. Galván
, Martin J. Field:
Improving the efficiency of the NEB reaction path finding algorithm. J. Comput. Chem. 29(1): 139-143 (2008) - 2003
- [j5]Eric Pellegrini, Martin J. Field:
Development and testing of a de novo drug-design algorithm. J. Comput. Aided Mol. Des. 17(10): 621-641 (2003) - 2002
- [j4]Laurent David, Patricia Amara
, Martin J. Field, François Major:
Parametrization of a force field for metals complexed to biomacromolecules: applications to Fe(II), Cu(II) and Pb(II). J. Comput. Aided Mol. Des. 16(8-9): 635-651 (2002) - [j3]Martin J. Field:
Simulating enzyme reactions: Challenges and perspectives. J. Comput. Chem. 23(1): 48-58 (2002) - 2000
- [j2]Martin J. Field, Marc Albe, Céline Bret, Flavien Proust-De Martin, Aline Thomas:
The dynamo library for molecular simulations using hybrid quantum mechanical and molecular mechanical potentials. J. Comput. Chem. 21(12): 1088-1100 (2000)
1990 – 1999
- 1997
- [j1]Laurent David, Martin J. Field:
Basis set approach to solution of poisson equation for small molecules immersed in solvent. J. Comput. Chem. 18(3): 343-350 (1997)
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