His scientific interests lie mostly in Quantum, Molecular dynamics, Computational chemistry, Thermodynamics and Ab initio. His Molecular dynamics research is multidisciplinary, relying on both Energy, Statistical physics and Stationary point. His Computational chemistry study typically links adjacent topics like Active site.
His work deals with themes such as Dipole, Potential of mean force, Force field and Molecular mechanics, which intersect with Thermodynamics. Martin J. Field has included themes like Solvent models, Solvation, Interaction energy, MNDO and Umbrella sampling in his Force field study. His studies in Ab initio integrate themes in fields like Protonation, Catalytic cycle, Electron paramagnetic resonance, Reversible reaction and Redox.
The scientist’s investigation covers issues in Molecular dynamics, Stereochemistry, Computational chemistry, Crystallography and Catalysis. His Molecular dynamics research integrates issues from Chemical physics, Enzyme catalysis, Electronic structure, Protein structure and Binding site. His Stereochemistry research includes themes of Residue, Active site, Enzyme, Molecule and Reaction mechanism.
His Computational chemistry research is multidisciplinary, incorporating elements of Solvation, Ab initio and Thermodynamics. His Thermodynamics study integrates concerns from other disciplines, such as Quantum and Force field. The study incorporates disciplines such as Inorganic chemistry, Cobalt, Hydride and Photochemistry in addition to Catalysis.
His primary areas of study are Stereochemistry, Catalysis, Molecular dynamics, Enzyme and Computational chemistry. His Stereochemistry research integrates issues from Molecule, Cysteine and Acylation. The various areas that he examines in his Catalysis study include Exchange current density, Tafel equation, Cobalt and Aqueous solution.
His Molecular dynamics research incorporates elements of Chemical physics, Work, Active site, Electronic structure and Reaction mechanism. Martin J. Field has included themes like Hydride, Solvent and Ribozyme in his Computational chemistry study. His work in Hydride covers topics such as Density functional theory which are related to areas like Ab initio.
Martin J. Field spends much of his time researching Catalysis, Cobalt, Stereochemistry, Photochemistry and Physical chemistry. Martin J. Field works mostly in the field of Catalysis, limiting it down to topics relating to Aqueous solution and, in certain cases, Electrocatalyst, Inorganic chemistry, Platinum, Hydrogen production and Copper. His work carried out in the field of Cobalt brings together such families of science as Crystallography, Hydride and Quantum chemical.
His research in Quantum chemical intersects with topics in Hydrogenase, Myoglobin, Docking and Density functional theory. Martin J. Field interconnects Hydrolysis, Nucleophile and Enzyme in the investigation of issues within Stereochemistry. His Photochemistry study incorporates themes from Oxime, Protonation, Diimine and Heterolysis.
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All-atom empirical potential for molecular modeling and dynamics studies of proteins.
A. D. MacKerell;D. Bashford;M. Bellott;R. L. Dunbrack.
Journal of Physical Chemistry B (1998)
A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations
M. J. Field;Paul A. Bash;Martin Karplus.
Journal of Computational Chemistry (1990)
A generalized hybrid orbital (GHO) method for the treatment of boundary atoms in combined QM/MM calculations
Jiali Gao;Patricia Amara;Cristobal Alhambra;Martin J. Field.
Journal of Physical Chemistry A (1998)
Gas access to the active site of Ni-Fe hydrogenases probed by X-ray crystallography and molecular dynamics.
Yaël Montet;Patricia Amara;Anne Volbeda;Xavier Vernede.
Nature Structural & Molecular Biology (1997)
Free energy perturbation method for chemical reactions in the condensed phase: a dynamic approach based on a combined quantum and molecular mechanics potential
Paul A. Bash;Martin J. Field;Martin Karplus.
Journal of the American Chemical Society (1987)
A revised potential-energy surface for molecular mechanics studies of carbohydrates.
Sookhee N. Ha;Ann Giammona;Martin Field;John W. Brady.
Carbohydrate Research (1988)
Computer simulation and analysis of the reaction pathway of triosephosphate isomerase
P. A. Bash;M. J. Field;R. C. Davenport;G. A. Petsko.
The dynamo library for molecular simulations using hybrid quantum mechanical and molecular mechanical potentials
Martin J. Field;Marc Albe;Céline Bret;Flavien Proust-De Martin.
Journal of Computational Chemistry (2000)
Copper molybdenum sulfide: a new efficient electrocatalyst for hydrogen production from water
Phong D. Tran;Mai Nguyen;Stevin S. Pramana;Anirban Bhattacharjee.
Energy and Environmental Science (2012)
A Practical Introduction to the Simulation of Molecular Systems
Martin J. Field.
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