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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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| Autori principali: | , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
International Union of Crystallography
2009
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2733883/ https://ncbi.nlm.nih.gov/pubmed/19690373 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S0907444909022707 |
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