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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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Bibliografski detalji
Glavni autori: Dolinsky, Todd J., Nielsen, Jens E., McCammon, J. Andrew, Baker, Nathan A.
Format: Artigo
Jezik:Inglês
Izdano: Oxford University Press 2004
Teme:
Online pristup: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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