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Enhanced semiempirical QM methods for biomolecular interactions.
Comput Struct Biotechnol J. 2015 Feb 28;13:169-75. doi: 10.1016/j.csbj.2015.02.004. eCollection 2015.
Comput Struct Biotechnol J. 2015.
PMID: 25848495
Free PMC article.
Review.
Prospects of Applying Enhanced Semi-Empirical QM Methods for 2101 Virtual Drug Design.
Yilmazer ND, Korth M.
Yilmazer ND, et al.
Curr Med Chem. 2016;23(20):2101-11. doi: 10.2174/0929867323666160517120005.
Curr Med Chem. 2016.
PMID: 27183985
Review.
Item in Clipboard
Comparison of molecular mechanics, semi-empirical quantum mechanical, and density functional theory methods for scoring protein-ligand interactions.
Yilmazer ND, Korth M.
Yilmazer ND, et al.
J Phys Chem B. 2013 Jul 11;117(27):8075-84. doi: 10.1021/jp402719k. Epub 2013 Jun 25.
J Phys Chem B. 2013.
PMID: 23758433
Item in Clipboard
Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: computing infrastructure and collective properties.
Husch T, Yilmazer ND, Balducci A, Korth M.
Husch T, et al. Among authors: yilmazer nd.
Phys Chem Chem Phys. 2015 Feb 7;17(5):3394-401. doi: 10.1039/c4cp04338c. Epub 2014 Dec 22.
Phys Chem Chem Phys. 2015.
PMID: 25529013
Item in Clipboard
Recent Progress in Treating Protein-Ligand Interactions with Quantum-Mechanical Methods.
Yilmazer ND, Korth M.
Yilmazer ND, et al.
Int J Mol Sci. 2016 May 16;17(5):742. doi: 10.3390/ijms17050742.
Int J Mol Sci. 2016.
PMID: 27196893
Free PMC article.
Review.
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