Martin J. Field

发表

Development and testing of a de novo drug-design algorithm

Eric Pellegrini, Martin J. Field, 2003, J. Comput. Aided Mol. Des..

Modeling the Hydrolysis of Iron-Sulfur Clusters

Martin J. Field, Murilo H. Teixeira, Felipe Curtolo, 2019, J. Chem. Inf. Model..

Improving the efficiency of the NEB reaction path finding algorithm

Martin J. Field, Ignacio Fdez. Galván, M. Field, 2008, J. Comput. Chem..

Parametrization of a force field for metals complexed to biomacromolecules: applications to Fe(II), Cu(II) and Pb(II)

Martin J. Field, François Major, Laurent David, 2002, J. Comput. Aided Mol. Des..

Pcetk: A pDynamo-based Toolkit for Protonation State Calculations in Proteins

Martin J. Field, Mikolaj Feliks, M. Field, 2015, J. Chem. Inf. Model..

GTKDynamo: A PyMOL plug‐in for QC/MM hybrid potential simulations

Martin J. Field, Leonardo R. Bachega, Lucas Assirati, 2013, J. Comput. Chem..

The dynamo library for molecular simulations using hybrid quantum mechanical and molecular mechanical potentials

Martin J. Field, Marc Albe, Céline Bret, 2000, J. Comput. Chem..

Molecular Simulations With The MD-Grape Special-Purpose Computer

Martin J. Field, 2001 .

Simulating enzyme reactions: Challenges and perspectives

Martin J. Field, M. Field, 2002, J. Comput. Chem..

A Practical Introduction to the Simulation of Molecular Systems: Subject index

Martin J. Field, M. Field, 2007 .

Basis set approach to solution of poisson equation for small molecules immersed in solvent

Martin J. Field, Laurent David, 1997, J. Comput. Chem..

Torsional motions of methyl and ammonium groups in the L-alanine crystal : a comparison of molecular dynamics and normal mode calculations

Martin J. Field, Martin Karplus, Gerald R. Kneller, 1991 .

A Practical Introduction to the Simulation of Molecular Systems: Normal mode analysis

Martin J. Field, M. Field, 2007 .

A temperature-dependent nudged-elastic-band algorithm

Martin J. Field, Ramon Crehuet, M. Field, 2003 .

The generalized hybrid orbital method for combined quantum mechanical/molecular mechanical calculations: formulation and tests of the analytical derivatives

Martin J. Field, Jiali Gao, Patricia Amara, 2000 .

A generalized-born solvation model for macromolecular hybrid-potential calculations

Martin J. Field, M. Field, E. Pellegrini, 2002 .

HYBRID QUANTUM MECHANICAL/MOLECULAR MECHANICAL FLUCTUATING CHARGE MODELS FOR CONDENSED PHASE SIMULATIONS

Martin J. Field, M. Field, 1997 .

Free energy perturbation method for chemical reactions in the condensed phase: a dynamic approach based on a combined quantum and molecular mechanics potential

Martin J. Field, Martin Karplus, Paul A. Bash, 1987 .

Constrained optimization of ab initio and semiempirical Hartree-Fock wave functions using direct minimization or simulated annealing

Martin J. Field, 1991 .

Evaluation of an ab initio quantum mechanical/molecular mechanical hybrid-potential link-atom method

Martin J. Field, Patricia Amara, M. Field, 2003 .

MC−SCF study of the Diels-Alder reaction between ethylene and butadiene

Martin J. Field, Fernando Bernardi, Michael A. Robb, 1988 .

Chapter 1 – Hybrid Potentials for Large Molecular Systems

Martin J. Field, Patricia Amara, M. Field, 1999 .

A chemical potential equalization model for treating polarization in molecular mechanical force fields

Martin J. Field, Lars Hemmingsen, M. Field, 2000 .

Adapting the inducible multipole solvation model for use in molecular dynamics simulations

Martin J. Field, Laurent David, M. Field, 1995 .

A Hybrid-Potential Free-Energy Study of the Isomerization Step of the Acetohydroxy Acid Isomeroreductase Reaction

Martin J. Field, M. Field, R. Dumas, 2000 .

Basis set approach to solution of poisson equation for small molecules immersed in solvent

Martin J. Field, Laurent David, M. Field, 1997, J. Comput. Chem..

Stochastic Dynamics Simulations of Macromolecular Diffusion in a Model of the Cytoplasm of Escherichia coli

Martin J. Field, M. Field, Dominique J. Bicout† and, 1996 .