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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...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Kleinjung, Jens, Fraternali, Franca
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: Elsevier Science 2014
Gaiak:
Sarrera elektronikoa: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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