Enhanced semiempirical QM methods for biomolecular interactions

Recent successes and failures of the application of ‘enhanced’ semiempirical QM (SQM) methods are reviewed in the light of the benefits and backdraws of adding dispersion (D) and hydrogen-bond (H) correction terms. We find that the accuracy of SQM-DH methods for non-covalent interactions is very oft...

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Detalles Bibliográficos
Autores principales: Yilmazer, Nusret Duygu, Korth, Martin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2015
Materias:
Mini Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4372622/
https://www.ncbi.nlm.nih.gov/pubmed/25848495
http://dx.doi.org/10.1016/j.csbj.2015.02.004

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4372622/
https://www.ncbi.nlm.nih.gov/pubmed/25848495
http://dx.doi.org/10.1016/j.csbj.2015.02.004

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