Gerald Monard
Gerald Monard
Verified email at univ-lorraine.fr - Homepage
Title
Cited by
Cited by
Year
AMBER 2015
DA Case, J Berryman, RM Betz, DS Cerutti, TE Cheatham Iii, TA Darden, ...
University of California, 2015
21732015
Combined quantum mechanical/molecular mechanical methodologies applied to biomolecular systems
G Monard, KM Merz
Accounts of chemical research 32 (10), 904-911, 1999
4061999
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
1941996
AMBER 2015; University of California: San Francisco, CA, 2015
DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ...
Google Scholar There is no corresponding record for this reference, 2015
1082015
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
1022009
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
932004
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
921998
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
682005
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
652003
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
622006
AMBER; University of California: San Francisco, CA, 2015
DA Case, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, RE Duke, ...
Google Scholar There is no corresponding record for this reference, 0
56
Amber 2020
DA Case, K Belfon, I Ben-Shalom, SR Brozell, D Cerutti, T Cheatham, ...
542020
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
542014
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
532008
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
522008
AMBER 2016 reference manual
DA Case, RM Betz, DS Cerutti, TE Cheatham, T Darden, R Duke, ...
University of California, San Francisco, 1-923, 2016
502016
Theoretical study of indole polymerization
H Talbi, G Monard, M Loos, D Billaud
Journal of Molecular Structure: THEOCHEM 434 (1-3), 129-134, 1998
461998
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 (7), 527-538, 2000
412000
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
411999
AMBER 2018; 2018
DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ...
University of California, San Francisco, 2018
402018
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