Olgun Guvench
Olgun Guvench
Associate Professor, University of New England College of Pharmacy
Verified email at une.edu
Title
Cited by
Cited by
Year
CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields
K Vanommeslaeghe, E Hatcher, C Acharya, S Kundu, S Zhong, J Shim, ...
Journal of computational chemistry 31 (4), 671-690, 2010
36392010
CHARMM additive all-atom force field for glycosidic linkages between hexopyranoses
O Guvench, E Hatcher, RM Venable, RW Pastor, AD MacKerell Jr
Journal of chemical theory and computation 5 (9), 2353-2370, 2009
4912009
Additive empirical force field for hexopyranose monosaccharides
O Guvench, SN Greene, G Kamath, JW Brady, RM Venable, RW Pastor, ...
Journal of computational chemistry 29 (15), 2543-2564, 2008
4782008
CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate–protein modeling
O Guvench, SS Mallajosyula, EP Raman, E Hatcher, K Vanommeslaeghe, ...
Journal of chemical theory and computation 7 (10), 3162-3180, 2011
4062011
Comparison of protein force fields for molecular dynamics simulations
O Guvench, AD MacKerell
Molecular modeling of proteins, 63-88, 2008
2132008
Computational fragment-based binding site identification by ligand competitive saturation
O Guvench, AD MacKerell Jr
PLoS Comput Biol 5 (7), e1000435, 2009
1912009
CHARMM additive all-atom force field for acyclic polyalcohols, acyclic carbohydrates, and inositol
ER Hatcher, O Guvench, AD MacKerell Jr
Journal of chemical theory and computation 5 (5), 1315-1327, 2009
1532009
CHARMM additive all-atom force field for glycosidic linkages in carbohydrates involving furanoses
EP Raman, O Guvench, AD MacKerell Jr
The Journal of Physical Chemistry B 114 (40), 12981-12994, 2010
1472010
Current status of protein force fields for molecular dynamics simulations
PEM Lopes, O Guvench, AD MacKerell
Molecular modeling of proteins, 47-71, 2015
1392015
CHARMM additive all-atom force field for aldopentofuranoses, methyl-aldopentofuranosides, and fructofuranose
E Hatcher, O Guvench, AD MacKerell Jr
The Journal of Physical Chemistry B 113 (37), 12466-12476, 2009
1202009
Automated conformational energy fitting for force-field development
O Guvench, AD MacKerell
Journal of molecular modeling 14 (8), 667-679, 2008
1052008
CHARMM additive all-atom force field for phosphate and sulfate linked to carbohydrates
SS Mallajosyula, O Guvench, E Hatcher, AD MacKerell Jr
Journal of chemical theory and computation 8 (2), 759-776, 2012
1022012
Reproducing crystal binding modes of ligand functional groups using Site-Identification by Ligand Competitive Saturation (SILCS) simulations
EP Raman, W Yu, O Guvench, AD MacKerell Jr
Journal of chemical information and modeling 51 (4), 877-896, 2011
1012011
Computational evaluation of protein–small molecule binding
O Guvench, AD MacKerell Jr
Current opinion in structural biology 19 (1), 56-61, 2009
872009
Tryptophan side chain electrostatic interactions determine edge-to-face vs parallel-displaced tryptophan side chain geometries in the designed β-hairpin “trpzip2”
O Guvench, CL Brooks
Journal of the American Chemical Society 127 (13), 4668-4674, 2005
792005
Molecular mechanics
K Vanommeslaeghe, O Guvench
Current pharmaceutical design 20 (20), 3281-3292, 2014
752014
Atomistic simulation study of linear alkylbenzene sulfonates at the water/air interface
X He, O Guvench, AD MacKerell Jr, ML Klein
The Journal of Physical Chemistry B 114 (30), 9787-9794, 2010
552010
Choline acetyltransferase. Reversible inhibition by bromoacetyl coenzyme A and bromoacetylcholine
RJ Roskoski
Biochemistry 13 (11), 2295-2298, 1974
48*1974
Targeting protein tyrosine phosphatase SHP2 for the treatment of PTPN11-associated malignancies
B Yu, W Liu, WM Yu, ML Loh, S Alter, O Guvench, AD MacKerell, LD Tang, ...
Molecular cancer therapeutics 12 (9), 1738-1748, 2013
462013
Identification of small molecular weight inhibitors of Src homology 2 domain-containing tyrosine phosphatase 2 (SHP-2) via in silico database screening combined with …
WM Yu, O Guvench, AD MacKerell Jr, CK Qu
Journal of medicinal chemistry 51 (23), 7396-7404, 2008
442008
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Articles 1–20