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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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| Publicado no: | Comput Struct Biotechnol J |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Research Network of Computational and Structural Biotechnology
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4372622/ https://ncbi.nlm.nih.gov/pubmed/25848495 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.csbj.2015.02.004 |
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