| 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 | 15241 | 1998 |
| 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 | 2962 | 1990 |
| All-atom empirical potential for molecular modeling and dynamics studies of proteins AD MacKerrell, D Bashford, M Bellott, RL Dunbrack, JD Evanseck, ... J. Phys. Chem. B 102 (18), 3586-3616, 1998 | 731 | 1998 |
| 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 | 655 | 1998 |
| 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 | 467 | 1997 |
| 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 | 374 | 1988 |
| 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 | 362 | 1987 |
| 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 | 347 | 2000 |
| 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 | 344 | 2012 |
| 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 | 343 | 1991 |
| A practical introduction to the simulation of molecular systems MJ Field Cambridge University Press, 1999 | 328 | 1999 |
| Analysis of domain motions in large proteins K Hinsen, A Thomas, MJ Field Proteins: Structure, Function, and Bioinformatics 34 (3), 369-382, 1999 | 263 | 1999 |
| 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 | 260 | 2008 |
| Simulating enzyme reactions: challenges and perspectives MJ Field Journal of computational chemistry 23 (1), 48-58, 2002 | 222 | 2002 |
| Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography N Coquelle, M Sliwa, J Woodhouse, G Schiṛ, V Adam, A Aquila, ... Nature Chemistry 10 (1), 31-37, 2018 | 188 | 2018 |
| Crystal structures of a GABAA-receptor chimera reveal new endogenous neurosteroid-binding sites D Laverty, P Thomas, M Field, OJ Andersen, MG Gold, PC Biggin, ... Nature structural & molecular biology 24 (11), 977-985, 2017 | 182 | 2017 |
| 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 | 177 | 1999 |
| Evaluation of an ab initio quantum mechanical/molecular mechanical hybrid-potential link-atom method P Amara, MJ Field Theoretical Chemistry Accounts 109, 43-52, 2003 | 158 | 2003 |
| 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 | 152 | 1988 |
| 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, 336-343, 2000 | 143 | 2000 |
