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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...

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Detalles Bibliográficos
Autores principales:	Anandakrishnan, Ramu, Aguilar, Boris, Onufriev, Alexey V.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Oxford University Press 2012
Materias:	Articles
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

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