دانلود مقالات ISI درباره Comsia, Comparative Molecular Similarity Indices Analysis + ترجمه فارسی

استفاده از رویکردهای مدل سازی محاسباتی در بررسی تعاملات اتصال از ترکیبات با گیرنده های استروژن انسان

Use of computational modeling approaches in studying the binding interactions of compounds with human estrogen receptors

Keywords: CoMFA, comparative molecular field analysis; CoMSIA, comparative molecular similarity indices analysis; E1, estrone; E2, 17β-estradiol; EDC, endocrine disrupting chemical; ER, estrogen receptor; H12, Helix 12; LBD, ligand binding domain; OH-PBDE, hydroxyl

دانلود رایگان متن کامل مقاله ISI 16 صفحه سال انتشار : 2016 سفارش ترجمه

Exploiting ChEMBL database to identify indole analogs as HCV replication inhibitors

Keywords: HCV, hepatitis C virus; 3D-QSAR, three-dimensional quantitative structure–activity relationship; CoMSIA, comparative molecular similarity indices analysis; PLS, partial least squares; LOO, leave-one-out; SPRESS, standard error of predictions; ONC, optimal

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2015 سفارش ترجمه

CoMSIA and POM analyses of anti-malarial activity of synthetic prodiginines

Keywords: CoMSIA, Comparative Molecular Similarity Indices Analysis; POM, Petra/Osiris/MolinspirationCoMSIA; POM analyses; Prodiginines; Anti-malarial activity

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2012 سفارش ترجمه

Molecular factors governing inhibition of arylimidamides against Leishmania: Conservative computational modeling to improve chemotherapies

Keywords: CoMFA, comparative molecular field analysis; CoMSIA, comparative molecular similarity indices analysis; QSAR, quantitative structure–activity relationship; PLS, partial least squares; SEE, standard error of estimate; CPDD, consortium for parasitic drug de

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2011 سفارش ترجمه

A comparison of different electrostatic potentials on prediction accuracy in CoMFA and CoMSIA studies

Keywords: 3D-QSAR; AM1-BCC; Electrostatic potentials; CoMFA; CoMSIA3D-QSAR, Three-dimensional quantitative structure–activity relationship; CoMFA, Comparative molecular field analysis; CoMSIA, Comparative molecular similarity indices analysis; THR, Thrombin; ACE, A

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2010 سفارش ترجمه

Anti-androgen activity of polybrominated diphenyl ethers determined by comparative molecular similarity indices and molecular docking

Keywords: BDE, Brominated diphenyl ether; PBDEs, Polybrominated diphenyl ethers; 3D-QSAR, Three-dimensional quantitative structure-activity relationship; CoMSIA, Comparative molecular similarity indices analysis; AR, Androgen receptor; LBD, Ligand-binding domain; P

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2009 سفارش ترجمه

Selective 5-HT6 receptor ligands: Progress in the development of a novel pharmacological approach to the treatment of obesity and related metabolic disorders

Keywords: 5-HT6 ligands; Metabolic disorders; Obesity; Rodent models; TreatmentBMI, body mass index; CB1, cannabinoid receptor type 1; CoMFA, comparative molecular field analysis; CoMSIA, comparative molecular similarity indices analysis; DIO, dietary-induced obese

دانلود رایگان متن کامل مقاله ISI 25 صفحه سال انتشار : 2008 سفارش ترجمه

Recognition of 2-aminothiazole-4-acetic acid derivatives by the peptide transporters PEPT1 and PEPT2

Keywords: ATAA, 2-aminothiazole-4-acetic acid; Su, succinimide; TFA, trifluoroacetic acid; PLS, partial least squares; CoMSIA, comparative molecular similarity indices analysis; EDC, 1-ethyl-3-(3-dimethylaminopropyl)carbodiimidePEPT1; PEPT2; Peptide mimics; Drug de

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2007 سفارش ترجمه

Structure–activity relationships of a series of tariquidar analogs as multidrug resistance modulators

Keywords: MDR, multidrug resistance; P-gp, P-glycoprotein; HB, hydrogen bond; CoMFA, comparative molecular field analysis; CoMSIA, comparative molecular similarity indices analysis; LOO, leave-one-out cross-validationP-glycoprotein; Multidrug resistance; Comparativ

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2006 سفارش ترجمه

Comparative molecular field analysis and comparative molecular similarity indices analysis of human thymidine kinase 1 substrates

Keywords: 3D-QSAR, three-dimensional quantitative structure-activity relationship; AZT, 3′-azido-2′,3′-dideoxythymidine; BNCT, boron neutron capture therapy; CoMFA, comparative molecular field analysis; CoMSIA, comparative molecular similarity indices analy

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2005 سفارش ترجمه