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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...

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Detalles Bibliográficos
Autores principales: Maxwell, Peter I., Popelier, Paul L. A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2017
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