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Refinement of Generalized Born Implicit Solvation Parameters for Nucleic Acids and their Complexes with Proteins

The Generalized Born (GB) implicit solvent model has undergone significant improvements in accuracy for modeling of proteins and small molecules. However, GB still remains a less widely explored option for nucleic acid simulations, in part because fast GB models are often unable to maintain stable n...

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Pubblicato in:J Chem Theory Comput
Autori principali: Nguyen, Hai, Pérez, Alberto, Bermeo, Sherry, Simmerling, Carlos
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2015
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4805114/
https://ncbi.nlm.nih.gov/pubmed/26574454
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b00271
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