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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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Autors principals: Kleinjung, Jens, Fraternali, Franca
Format: Artigo
Idioma:Inglês
Publicat: Elsevier Science 2014
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4045398/
https://ncbi.nlm.nih.gov/pubmed/24841242
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.sbi.2014.04.003
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