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., II Jamison; Alexander D., Jr. MacKerell

doi:10.1021/ct200328p

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., II Jamison, Alexander D., Jr. MacKerell

Research output: Contribution to journal › Article › peer-review

525 Citations (Scopus)

Original language	English
Pages (from-to)	3162-3180
Number of pages	19
Journal	Journal of Chemical Theory and Computation
Volume	7
Issue number	10
DOIs	https://doi.org/10.1021/ct200328p
Publication status	Published - Oct 2011

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10.1021/ct200328p

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Guvench, O., Mallajosyula, S. S., Raman, E. P., Hatcher, E., Vanommeslaeghe, K., Foster, T. J., Jamison, F. W. . II., & MacKerell, A. D. . J. (2011). CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate-Protein Modeling. Journal of Chemical Theory and Computation, 7(10), 3162-3180. https://doi.org/10.1021/ct200328p

Guvench, Olgun ; Mallajosyula, Sairam S. ; Raman, E. Prabhu ; Hatcher, Elizabeth ; Vanommeslaeghe, Kenno ; Foster, Theresa J. ; Jamison, Francis W., II ; MacKerell, Alexander D., Jr. / CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate-Protein Modeling. In: Journal of Chemical Theory and Computation. 2011 ; Vol. 7, No. 10. pp. 3162-3180.

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author = "Olgun Guvench and Mallajosyula, {Sairam S.} and Raman, {E. Prabhu} and Elizabeth Hatcher and Kenno Vanommeslaeghe and Foster, {Theresa J.} and Jamison, {Francis W., II} and MacKerell, {Alexander D., Jr.}",

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CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate-Protein Modeling. / Guvench, Olgun; Mallajosyula, Sairam S.; Raman, E. Prabhu; Hatcher, Elizabeth; Vanommeslaeghe, Kenno; Foster, Theresa J.; Jamison, Francis W., II; MacKerell, Alexander D., Jr.

In: Journal of Chemical Theory and Computation, Vol. 7, No. 10, 10.2011, p. 3162-3180.

Research output: Contribution to journal › Article › peer-review

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