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Design and application of implicit solvent models in biomolecular simulations

We review implicit solvent models and their parametrisation by introducing the concepts and recent devlopments of the most popular models with a focus on parametrisation via force matching. An overview of recent applications of the solvation energy term in protein dynamics, modelling, design and pre...

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Detalles Bibliográficos
Autores principales: Kleinjung, Jens, Fraternali, Franca
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Science 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4045398/
https://www.ncbi.nlm.nih.gov/pubmed/24841242
http://dx.doi.org/10.1016/j.sbi.2014.04.003