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Performance of radial distribution function-based descriptors in the chemoinformatic studies of HIV-1 protease.

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第一作者： Jurica,Novak

第一单位： Higher Medical and Biological School, Laboratory of Computational Modeling of Drugs, South Ural State University, 20-A, Tchaikovsky Str., Chelyabinsk, 454080, Russian Federation.;Division of Physical Chemistry, Ruđer Bošković Institute, Bijenička cesta 54, Zagreb, 10000, Croatia.

作者： Jurica,Novak ^[1] ; Maria A,Grishina ^[2] ; Vladimir A,Potemkin ^[2] ; Johann,Gasteiger ^[3]

作者单位： Higher Medical and Biological School, Laboratory of Computational Modeling of Drugs, South Ural State University, 20-A, Tchaikovsky Str., Chelyabinsk, 454080, Russian Federation.;Division of Physical Chemistry, Ruđer Bošković Institute, Bijenička cesta 54, Zagreb, 10000, Croatia. ^[1] Higher Medical and Biological School, Laboratory of Computational Modeling of Drugs, South Ural State University, 20-A, Tchaikovsky Str., Chelyabinsk, 454080, Russian Federation. ^[2] Computer-Chemie-Centrum, Friedrich-Alexander-University Erlangen-Nürnberg, Naegelsbachstr. 25, 91052, Erlangen, Germany. ^[3]

关键词 HIV protease QSAR RDF drug design inhibitors radial distribution function

主题词 HIV蛋白酶(HIV Protease);HIV蛋白酶抑制药(HIV Protease Inhibitors);人类(Humans);配体(Ligands);模型, 分子(Models, Molecular);分子构象(Molecular Conformation);量化构效关系(Quantitative Structure-Activity Relationship)

DOI 10.4155/fmc-2019-0241

PMID 31983244

发布时间 2020-12-29

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准确一般字义偏差语意偏离译文作用小提交