Improving an all-atom force field.

Improving an all-atom force field. Research Abstract Details 

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Improving an all-atom force field. Abstract Text:

Sandipan Mohanty,U H E Hansmann,Sandipan Mohanty,U H E Hansmann,

Experimentally well-characterized proteins that are small enough to be computationally tractable provide useful information for refining existing all-atom force fields. This is used by us for reparametrizing a recently developed all-atom force field. Relying on high statistics parallel tempering simulations of a designed 20 residue beta-sheet peptide, we propose incremental changes that improve the force field's range of applicability.

Improving an all-atom force field. Publishing Authors By Initials

S Mohanty,UH Hansmann,S Mohanty,UH Hansmann,

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Improving an all-atom force field. Journal Published:

PUBLICATION TYPE: Research Support, N.I.H., Extr

Journal: Physical review. E, Statistical, nonlinear, and so

VOLUME: 76

Page Numbers: 012901

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ISSN: 1539-3755

DAY: 18

MONTH: 07

YEAR: 2007

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LANGUAGE: eng

NlmUniqueID: 101136452

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Grant and Affiliation Information for Improving an all-atom force field.

AFFILIATION: John von Neumann Institut für Computing, Forschungszentrum Jülich, Jülich, Germany. s.mohanty@fz-juelich.de

Country: United States

AGENCY: United States NIGMS

GRANT: GM62838

ACRONYM: GM

MEDLINETA: Phys Rev E Stat Nonlin Soft Ma

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