Martin J. Field
Martin J. Field
CEA - Grenoble
Verified email at ill.fr - Homepage
Title
Cited by
Cited by
Year
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
AD MacKerell Jr, D Bashford, M Bellott, RL Dunbrack Jr, JD Evanseck, ...
The journal of physical chemistry B 102 (18), 3586-3616, 1998
122941998
A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations
MJ Field, PA Bash, M Karplus
Journal of Computational Chemistry 11 (6), 700-733, 1990
24991990
A generalized hybrid orbital (GHO) method for the treatment of boundary atoms in combined QM/MM calculations
J Gao, P Amara, C Alhambra, MJ Field
The Journal of Physical Chemistry A 102 (24), 4714-4721, 1998
5781998
Gas access to the active site of Ni-Fe hydrogenases probed by X-ray crystallography and molecular dynamics
Y Montet, P Amara, A Volbeda, X Vernede, EC Hatchikian, MJ Field, ...
Nature structural biology 4 (7), 523-526, 1997
4131997
A revised potential-energy surface for molecular mechanics studies of carbohydrates
SN Ha, A Giammona, M Field, JW Brady
Carbohydrate research 180 (2), 207-221, 1988
3431988
Free energy perturbation method for chemical reactions in the condensed phase: a dynamic approach based on a combined quantum and molecular mechanics potential
PA Bash, MJ Field, M Karplus
Journal of the American Chemical Society 109 (26), 8092-8094, 1987
3391987
Computer simulation and analysis of the reaction pathway of triosephosphate isomerase
PA Bash, MJ Field, RC Davenport, GA Petsko, D Ringe, M Karplus
Biochemistry 30 (24), 5826-5832, 1991
3151991
The dynamo library for molecular simulations using hybrid quantum mechanical and molecular mechanical potentials
MJ Field, M Albe, C Bret, F Proust‐De Martin, A Thomas
Journal of Computational Chemistry 21 (12), 1088-1100, 2000
2822000
A practical introduction to the simulation of molecular systems
MJ Field
Cambridge University Press, 1999
2721999
Copper molybdenum sulfide: a new efficient electrocatalyst for hydrogen production from water
PD Tran, M Nguyen, SS Pramana, A Bhattacharjee, SY Chiam, J Fize, ...
Energy & Environmental Science 5 (10), 8912-8916, 2012
2452012
Self-consistent parameterization of biomolecules for molecular modeling and condensed phase simulations.
AD MacKerell
FASEB J. 6, A143, 1992
2391992
Analysis of domain motions in large proteins
K Hinsen, A Thomas, MJ Field
Proteins: Structure, Function, and Bioinformatics 34 (3), 369-382, 1999
2321999
Structural characterization of IrisFP, an optical highlighter undergoing multiple photo-induced transformations
V Adam, M Lelimousin, S Boehme, G Desfonds, K Nienhaus, MJ Field, ...
Proceedings of the National Academy of Sciences 105 (47), 18343-18348, 2008
2072008
Simulating enzyme reactions: challenges and perspectives
MJ Field
Journal of computational chemistry 23 (1), 48-58, 2002
1972002
A hybrid density functional theory/molecular mechanics study of nickel− iron hydrogenase: Investigation of the active site redox states
P Amara, A Volbeda, JC Fontecilla-Camps, MJ Field
Journal of the American Chemical Society 121 (18), 4468-4477, 1999
1641999
MC-SCF study of the Diels-Alder reaction between ethylene and butadiene
F Bernardi, A Bottoni, MJ Field, MF Guest, IH Hillier, MA Robb, A Venturini
Journal of the American Chemical Society 110 (10), 3050-3055, 1988
1391988
Evaluation of an ab initio quantum mechanical/molecular mechanical hybrid-potential link-atom method
P Amara, MJ Field
Theoretical Chemistry Accounts 109 (1), 43-52, 2003
1272003
The generalized hybrid orbital method for combined quantum mechanical/molecular mechanical calculations: formulation and tests of the analytical derivatives
P Amara, MJ Field, C Alhambra, J Gao
Theoretical Chemistry Accounts 104 (5), 336-343, 2000
1242000
Intrinsic dynamics in ECFP and Cerulean control fluorescence quantum yield
M Lelimousin, M Noirclerc-Savoye, C Lazareno-Saez, B Paetzold, ...
Biochemistry 48 (42), 10038-10046, 2009
1052009
A structural and functional mimic of the active site of NiFe hydrogenases
S Canaguier, M Field, Y Oudart, J Pécaut, M Fontecave, V Artero
Chemical Communications 46 (32), 5876-5878, 2010
992010
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Articles 1–20