Polarizable atomic multipole X-ray refin
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Schnieders, Michael J. ;Fenn, Timothy D. ;Pande, Vijay S. ;Brunger, Axel T.
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Article
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2009
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International Union of Crystallography
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English
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Recent advances in computational chemistry have produced force fields based on a polarizable atomic multipole description of biomolecular electrostatics. In this work, the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field is applied to restrained refinement of