Enhanced semiempirical QM methods for biomolecular interactions
نویسندگان
چکیده
منابع مشابه
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 often reported to be comparable to dispersion-corrected density functional theory (DFT-D), while com...
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ژورنال
عنوان ژورنال: Computational and Structural Biotechnology Journal
سال: 2015
ISSN: 2001-0370
DOI: 10.1016/j.csbj.2015.02.004