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Toward Consistent Physics-Based Modeling of Local Backbone Structures and Chirality Change of Proteins in Coarse-Grained Approaches

[Image: see text] A reliable representation of local interactions is critical for the accuracy of modeling protein structure and dynamics at both the all-atom and coarse-grained levels. The development of local (mainly torsional) potentials was focused on careful parametrization of the predetermined...

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Detalles Bibliográficos
Autores principales: Lipska, Agnieszka G., Sieradzan, Adam K., Atmaca, Sümeyye, Czaplewski, Cezary, Liwo, Adam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10641867/
https://www.ncbi.nlm.nih.gov/pubmed/37889895
http://dx.doi.org/10.1021/acs.jpclett.3c01988