Biological Applications of Hybrid Quantum Mechanics/Molecular Mechanics Calculation

Since in most cases biological macromolecular systems including solvent water molecules are remarkably large, the computational costs of performing ab initio calculations for the entire structures are prohibitive. Accordingly, QM calculations that are jointed with MM calculations are crucial to eval...

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Detalles Bibliográficos
Autores principales: Kang, Jiyoung, Hagiwara, Yohsuke, Tateno, Masaru
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi Publishing Corporation 2012
Materias:
Review Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3321478/
https://www.ncbi.nlm.nih.gov/pubmed/22536015
http://dx.doi.org/10.1155/2012/236157

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3321478/
https://www.ncbi.nlm.nih.gov/pubmed/22536015
http://dx.doi.org/10.1155/2012/236157

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