O
Olgun Guvench
Researcher at University of New England (United States)
Publications - 50
Citations - 8300
Olgun Guvench is an academic researcher from University of New England (United States). The author has contributed to research in topics: Molecular dynamics & Binding site. The author has an hindex of 25, co-authored 48 publications receiving 6823 citations. Previous affiliations of Olgun Guvench include Brandeis University & Scripps Research Institute.
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Journal ArticleDOI
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields.
Kenno Vanommeslaeghe,Elizabeth Hatcher,Chayan Acharya,Sibsankar Kundu,Shijun Zhong,Jihyun Shim,Eva Darian,Olgun Guvench,Pedro E. M. Lopes,Igor Vorobyov,Alexander D. MacKerell +10 more
TL;DR: An extension of the CHARMM force field to drug‐like molecules is presented, making it possible to perform “all‐CHARMM” simulations on drug‐target interactions thereby extending the utility ofCHARMM force fields to medicinally relevant systems.
Journal ArticleDOI
CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses
TL;DR: The model-compound optimized force field parameters allow for the modeling of linear, branched, and cyclic hexopyranose glycosides both alone and in heterogenous systems including proteins, nucleic acids and/or lipids when combined with existing CHARMM biomolecular force fields.
Journal ArticleDOI
CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling.
Olgun Guvench,Sairam S. Mallajosyula,E. Prabhu Raman,Elizabeth Hatcher,Kenno Vanommeslaeghe,Theresa J. Foster,Francis W. Jamison,Alexander D. MacKerell +7 more
TL;DR: Development of force-field parameters for monosaccharide derivatives and their covalent connections to proteins via O-linkages to serine or threonine sidechains and via N- linkages to asparagine sidechains are detailed.
Journal ArticleDOI
Additive empirical force field for hexopyranose monosaccharides.
Olgun Guvench,Shannon Greene,Ganesh Kamath,John W. Brady,Richard M. Venable,Richard W. Pastor,Alexander D. MacKerell +6 more
TL;DR: An all‐atom additive empirical force field for the hexopyranose monosaccharide form of glucose and its diastereomers allose, altrose, galactose, gulose, idose, mannose, and talose is presented.
Book ChapterDOI
Comparison of protein force fields for molecular dynamics simulations.
TL;DR: This review describes the functional forms and parameterization protocols of the widely used biomolecular force fields Amber, CHARMM, GROMOS, and OPLS-AA and their ability to support the modeling of proteins in conjunction with nucleic acids, lipids, carbohydrates, and/or small molecules.