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H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations
The accuracy of atomistic biomolecular modeling and simulation studies depend on the accuracy of the input structures. Preparing these structures for an atomistic modeling task, such as molecular dynamics (MD) simulation, can involve the use of a variety of different tools for: correcting errors, ad...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394296/ https://www.ncbi.nlm.nih.gov/pubmed/22570416 http://dx.doi.org/10.1093/nar/gks375 |