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PDB2PQR: an automated pipeline for the setup of Poisson–Boltzmann electrostatics calculations

Continuum solvation models, such as Poisson–Boltzmann and Generalized Born methods, have become increasingly popular tools for investigating the influence of electrostatics on biomolecular structure, energetics and dynamics. However, the use of such methods requires accurate and complete structural...

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書目詳細資料
Main Authors: Dolinsky, Todd J., Nielsen, Jens E., McCammon, J. Andrew, Baker, Nathan A.
格式: Artigo
語言:Inglês
出版: Oxford University Press 2004
主題:
在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC441519/
https://ncbi.nlm.nih.gov/pubmed/15215472
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/nar/gkh381
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