| Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 5634 | 2021 |
| Combined quantum mechanical/molecular mechanical methodologies applied to biomolecular systems G Monard, KM Merz Accounts of chemical research 32 (10), 904-911, 1999 | 429 | 1999 |
| AMBER 2018, University of California, San Francisco, 2018 DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ... There is no corresponding record for this reference, 2015 | 253 | 2015 |
| Hybrid classical quantum force field for modeling very large molecules G Monard, M Loos, V Théry, K Baka, JL Rivail International journal of quantum chemistry 58 (2), 153-159, 1996 | 200 | 1996 |
| Deamidation of asparagine residues: direct hydrolysis versus succinimide-mediated deamidation mechanisms S Catak, G Monard, V Aviyente, MF Ruiz-López The Journal of Physical Chemistry A 113 (6), 1111-1120, 2009 | 147 | 2009 |
| AmberTools 16 DA Case, RM Betz, W Botello-Smith, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2016 | 123 | 2016 |
| Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode P Retailleau, N Colloc'h, D Vivarès, F Bonneté, B Castro, M El Hajji, ... Acta Crystallographica Section D: Biological Crystallography 60 (3), 453-462, 2004 | 123 | 2004 |
| AMBER 2018; 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2018 | 120 | 2018 |
| Modeling of peptide hydrolysis by thermolysin. A semiempirical and QM/MM study S Antonczak, G Monard, MF Ruiz-López, JL Rivail Journal of the American Chemical Society 120 (34), 8825-8833, 1998 | 99 | 1998 |
| Reaction mechanism of deamidation of asparaginyl residues in peptides: Effect of solvent molecules S Catak, G Monard, V Aviyente, MF Ruiz-Lopez The Journal of Physical Chemistry A 110 (27), 8354-8365, 2006 | 86 | 2006 |
| Rationalization of the pKa Values of Alcohols and Thiols Using Atomic Charge Descriptors and Its Application to the Prediction of Amino Acid pKa’s I Ugur, A Marion, S Parant, JH Jensen, G Monard Journal of chemical information and modeling 54 (8), 2200-2213, 2014 | 79 | 2014 |
| Oxygen pressurized X-ray crystallography: probing the dioxygen binding site in cofactorless urate oxidase and implications for its catalytic mechanism N Colloc’h, L Gabison, G Monard, M Altarsha, M Chiadmi, G Marassio, ... Biophysical Journal 95 (5), 2415-2422, 2008 | 78 | 2008 |
| Simulation of liquid water using semiempirical hamiltonians and the divide and conquer approach G Monard, MI Bernal-Uruchurtu, A Van Der Vaart, KM Merz, ... The Journal of Physical Chemistry A 109 (15), 3425-3432, 2005 | 71 | 2005 |
| Computational study on nonenzymatic peptide bond cleavage at asparagine and aspartic acid S Catak, G Monard, V Aviyente, MF Ruiz-López The Journal of Physical Chemistry A 112 (37), 8752-8761, 2008 | 66 | 2008 |
| Determination of enzymatic reaction pathways using QM/MM methods G Monard, X Prat‐Resina, A González‐Lafont, JM Lluch International journal of quantum chemistry 93 (3), 229-244, 2003 | 66 | 2003 |
| AMBER 2016 RE Duke, TJ Giese, H Gohlke, AW Goetz, N Homeyer, S Izadi, P Janowski, ... University of California, San Francisco 1 (3), 2016 | 62 | 2016 |
| Theoretical study of indole polymerization H Talbi, G Monard, M Loos, D Billaud Journal of Molecular Structure: THEOCHEM 434 (1-3), 129-134, 1998 | 57 | 1998 |
| AMBER 2018 TA Darden, RE Duke, D Ghoreishi, MK Gilson, H Gohlke, AW Goetz, ... University of California, San Francisco, 2018 | 50 | 2018 |
| Theoretical investigation of the monomer reactivity in polyindole derivatives H Talbi, G Monard, M Loos, D Billaud Synthetic metals 101 (1-3), 115-116, 1999 | 49 | 1999 |
| Insights in the peptide hydrolysis mechanism by thermolysin: a theoretical QM/MM study S Antonczak, G Monard, M Ruiz-López, JL Rivail Molecular modeling annual 6, 527-538, 2000 | 46 | 2000 |
