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The Intrinsic Radius as a Key Parameter in the Generalized Born Model to Adjust Protein-Protein Electrostatic Interaction

The generalized Born (GB) model is an extension of the continuum dielectric theory of Born solvation energy and is a powerful method for accelerating the molecular dynamic (MD) simulations of charged biological molecules in water. While the effective dielectric constant of water that varies as a fun...

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Detalles Bibliográficos
Autores principales: Parkin, Dan, Takano, Mitsunori
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10003186/
https://www.ncbi.nlm.nih.gov/pubmed/36902130
http://dx.doi.org/10.3390/ijms24054700