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Gerald Monard

Affiliations: 
Université de Lorraine 
Area:
Molecular Modeling, Enzyme reactivity
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Parents

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Jean-Louis Rivail grad student Université Henri Poincaré, Nancy I
Kenneth M. Merz, Jr. post-doc Penn State

Children

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Muhannad Altarsha grad student Université Henri Poincaré, Nancy I
Saron Catak grad student Université Henri Poincaré, Nancy I
Hatice Gokcan grad student Université de Lorraine
Antoine Marion grad student Université de Lorraine
Eddy Thiriot grad student Université Henri Poincaré, Nancy I
Ilke Ugur grad student Université de Lorraine

Collaborators

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Hassan K. Khartabil collaborator 2010- University of Nancy (France)
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Publications

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Tanriver G, Monard G, Catak S. (2021) Impact of Deamidation on the Structure and Function of Antiapoptotic Bcl-x. Journal of Chemical Information and Modeling. 62: 102-115
Marion A, Gokcan H, Monard G. (2018) SemiEmpirical Born-Oppenheimer Molecular Dynamics (SEBOMD) Within the Amber Biomolecular Package. Journal of Chemical Information and Modeling
Francoia JP, Rossi JC, Monard G, et al. (2017) Digitizing Poly-L-lysine Dendrigrafts: From Experimental Data to Molecular Dynamics Simulations. Journal of Chemical Information and Modeling
Wei W, Monard G, Gauld J. (2017) Computational insights into substrate binding and catalytic mechanism of the glutaminase domain of glucosamine-6-phosphate synthase (GlmS) Rsc Advances. 7: 29626-29638
Wei W, Gauld JW, Monard G. (2017) Pretransfer Editing in Threonyl-tRNA Synthetase: Roles of Differential Solvent Accessibility and Intermediate Stabilization Acs Catalysis. 7: 3102-3112
Gökcan H, Monard G, Sungur Konuklar FA. (2016) Molecular dynamics simulations of apo, holo, and inactivator bound GABA-at reveal the role of active site residues in PLP dependent enzymes. Proteins. 84: 875-91
Ugur I, Marion A, Aviyente V, et al. (2015) Why does Asn71 deamidate faster than Asn15 in the enzyme triosephosphate isomerase? Answers from microsecond molecular dynamics simulation and QM/MM free energy calculations. Biochemistry. 54: 1429-39
Farag MH, Ruiz-López MF, Bastida A, et al. (2015) Hydration Effect on Amide I Infrared Bands in Water: An Interpretation Based on an Interaction Energy Decomposition Scheme. The Journal of Physical Chemistry. B. 119: 9056-67
Ugur I, Marion A, Parant S, et al. (2014) Rationalization of the pKa values of alcohols and thiols using atomic charge descriptors and its application to the prediction of amino acid pKa's. Journal of Chemical Information and Modeling. 54: 2200-13
Marion A, Monard G, Ruiz-López MF, et al. (2014) Water interactions with hydrophobic groups: assessment and recalibration of semiempirical molecular orbital methods. The Journal of Chemical Physics. 141: 034106
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