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Disambiguation of "Gresh, Nohad"

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Polarizable molecular mechanics studies of Cu(I)/Zn(II) superoxide dismutase: Bimetallic binding site and structured waters.

, , , , , and . J. Comput. Chem., 35 (29): 2096-2106 (2014)

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Hossein Nohadani

Tina Nohadani

Frank Greshake

Sonja Greshake

Mohammed Ali Nohadani

 

Other publications of authors with the same name

Joint quantum chemical and polarizable molecular mechanics investigation of formate complexes with penta- and hexahydrated Zn2+: Comparison between energetics of model bidentate, monodentate, and through-water Zn2+ binding modes and evaluation of nonadditivity effects., , and . J. Comput. Chem., 20 (13): 1379-1390 (1999)Complexes of a Zn-metalloenzyme binding site with hydroxamate-containing ligands. A case for detailed benchmarkings of polarizable molecular mechanics/dynamics potentials when the experimental binding structure is unknown., , , , , , , and . J. Comput. Chem., 37 (32): 2770-2782 (2016)A supermolecule study of the effect of hydration on the conformational behaviour of leucine-enkephalin., and . J. Comput. Aided Mol. Des., 5 (2): 81-94 (1991)Complexes of thiomandelate and captopril mercaptocarboxylate inhibitors to metallo-lactamase by polarizable molecular mechanics. Validation on model binding sites by quantum chemistry., , and . J. Comput. Chem., 26 (11): 1131-1147 (2005)Representation of Zn(II) complexes in polarizable molecular mechanics. Further refinements of the electrostatic and short-range contributions. Comparisons with parallel ab initio computations., , and . J. Comput. Chem., 26 (11): 1113-1130 (2005)Mono- and Poly- Ligated Complexes of Zn2+: An Ab Initio Analysis of the Metal-Ligand Interaction Energy., , and . J. Comput. Chem., 16 (7): 843-855 (1995)Major versus minor groove DNA binding of a bisarginylporphyrin hybrid molecule: A molecular mechanics investigation., and . J. Comput. Aided Mol. Des., 13 (2): 123-137 (1999)Binding of 5-phospho-D-arabinonohydroxamate and 5-phospho-D-arabinonate inhibitors to zinc phosphomannose isomerase from Candida albicans studied by polarizable molecular mechanics and quantum mechanics., , , , and . J. Comput. Chem., 28 (5): 938-957 (2007)Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study., , , and . J. Comput. Chem., 25 (6): 823-834 (2004)Comparative binding energetics of Mg2+, Ca2+, Zn2+, and Cd2+ to biologically relevant ligands: Combined ab initio SCF supermolecule and molecular mechanics investigation., and . J. Comput. Chem., 17 (12): 1481-1495 (1996)