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Unfavorable regions in the ramachandran plot: Is it really steric hindrance? The interacting quantum atoms perspective
Accurate description of the intrinsic preferences of amino acids is important to consider when developing a biomolecular force field. In this study, we use a modern energy partitioning approach called Interacting Quantum Atoms to inspect the cause of the φ and ψ torsional preferences of three dipept...
Autores principales: | Maxwell, Peter I., Popelier, Paul L. A. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5659141/ https://www.ncbi.nlm.nih.gov/pubmed/28841241 http://dx.doi.org/10.1002/jcc.24904 |
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