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Polarizable atomic multipole X-ray refinement: application to peptide crystals

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...

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Detalles Bibliográficos
Autores principales:	Schnieders, Michael J., Fenn, Timothy D., Pande, Vijay S., Brunger, Axel T.
Formato:	Texto
Lenguaje:	English
Publicado:	International Union of Crystallography 2009
Materias:	Research Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2733883/ https://www.ncbi.nlm.nih.gov/pubmed/19690373 http://dx.doi.org/10.1107/S0907444909022707

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