| Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 5784 | 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 |
| 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 | 202 | 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 | 155 | 2009 |
| AMBER 2018; 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2018 | 129 | 2018 |
| AmberTools 16 DA Case, RM Betz, W Botello-Smith, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2016 | 125 | 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 | 125 | 2004 |
| 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 | 100 | 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 | 90 | 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 | 70 | 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 | 67 | 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 | 64 | 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 | 61 | 1998 |
| 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 | 53 | 1999 |
| AMBER 2018 TA Darden, RE Duke, D Ghoreishi, MK Gilson, H Gohlke, AW Goetz, ... University of California, San Francisco, 2018 | 52 | 2018 |
| 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 |
| Theoretical study of the reduction mechanism of sulfoxides by thiols B Balta, G Monard, MF Ruiz-Lopez, M Antoine, A Gand, S Boschi-Muller, ... The Journal of Physical Chemistry A 110 (24), 7628-7636, 2006 | 41 | 2006 |
