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Gerald Monard
Gerald Monard
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Amber 2021
DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ...
University of California, San Francisco, 2021
52792021
Combined quantum mechanical/molecular mechanical methodologies applied to biomolecular systems
G Monard, KM Merz
Accounts of chemical research 32 (10), 904-911, 1999
4301999
AMBER 2018, University of California, San Francisco, 2018
DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ...
Google Scholar There is no corresponding record for this reference, 2015
2402015
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
2021996
AMBER 2018, University of California, San Francisco
DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ...
Ta [Google Scholar], 2018
1502018
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
1432009
AmberTools 16
DA Case, RM Betz, W Botello-Smith, DS Cerutti, TE Cheatham III, ...
University of California, San Francisco, 2016
1412016
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
1212004
AMBER 2018; 2018
DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ...
University of California, San Francisco, 2018
1112018
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
991998
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
872006
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
762008
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
732014
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
712005
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
662003
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
652008
AMBER 2016
RE Duke, TJ Giese, H Gohlke, AW Goetz, N Homeyer, S Izadi, P Janowski, ...
University of California, San Francisco 1 (3), 2016
602016
Theoretical study of indole polymerization
H Talbi, G Monard, M Loos, D Billaud
Journal of Molecular Structure: THEOCHEM 434 (1-3), 129-134, 1998
581998
AMBER 2018
TA Darden, RE Duke, D Ghoreishi, MK Gilson, H Gohlke, AW Goetz, ...
University of California, San Francisco, 2018
502018
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
491999
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