Biomolecular Simulations with the Three-Dimensional Reference Interaction Site Model with the Kovalenko-Hirata Closure Molecular Solvation Theory

The statistical mechanics-based 3-dimensional reference interaction site model with the Kovalenko-Hirata closure (3D-RISM-KH) molecular solvation theory has proven to be an essential part of a multiscale modeling framework, covering a vast region of molecular simulation techniques. The successful ap...

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Detalles Bibliográficos
Autores principales: Roy, Dipankar, Kovalenko, Andriy
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8151972/
https://www.ncbi.nlm.nih.gov/pubmed/34064655
http://dx.doi.org/10.3390/ijms22105061

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8151972/
https://www.ncbi.nlm.nih.gov/pubmed/34064655
http://dx.doi.org/10.3390/ijms22105061

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