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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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| Auteurs principaux: | , , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Oxford University Press
2004
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| Sujets: | |
| Accès en ligne: | 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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