252 related articles for article (PubMed ID: 12203841)
1. Comparative structural connectivity spectra analysis (CoSCoSA) models of steroids binding to the aromatase enzyme.
Beger RD; Wilkes JG
J Mol Recognit; 2002; 15(3):154-62. PubMed ID: 12203841
[TBL] [Abstract][Full Text] [Related]
2. Comparative structural connectivity spectra analysis (CoSCoSA) models of steroid binding to the corticosteroid binding globulin.
Beger RD; Buzatu DA; Wilkes JG; Lay JO
J Chem Inf Comput Sci; 2002; 42(5):1123-31. PubMed ID: 12376999
[TBL] [Abstract][Full Text] [Related]
3. Models of steroid binding based on the minimum deviation of structurally assigned 13C NMR spectra analysis (MiDSASA).
Beger RD; Harris S; Xie Q
J Chem Inf Comput Sci; 2004; 44(4):1489-96. PubMed ID: 15272857
[TBL] [Abstract][Full Text] [Related]
4. Combining NMR spectral and structural data to form models of polychlorinated dibenzodioxins, dibenzofurans, and biphenyls binding to the AhR.
Beger RD; Buzatu DA; Wilkes JG
J Comput Aided Mol Des; 2002 Oct; 16(10):727-40. PubMed ID: 12650590
[TBL] [Abstract][Full Text] [Related]
5. (13)C NMR quantitative spectrometric data-activity relationship (QSDAR) models of steroids binding the aromatase enzyme.
Beger RD; Buzatu DA; Wilkes JG; Lay JO
J Chem Inf Comput Sci; 2001; 41(5):1360-6. PubMed ID: 11604038
[TBL] [Abstract][Full Text] [Related]
6. Quantitative structure spectroscopy relationships of carbon-13 nuclear magnetic resonance chemical shifts of steroids.
Tong J; Liu S; Zhou P; Zhang S; Li SZ
J Mol Graph Model; 2007 Jul; 26(1):86-92. PubMed ID: 17204441
[TBL] [Abstract][Full Text] [Related]
7. The comparative molecular surface analysis (CoMSA) with modified uniformative variable elimination-PLS (UVE-PLS) method: application to the steroids binding the aromatase enzyme.
Polanski J; Gieleciak R
J Chem Inf Comput Sci; 2003; 43(2):656-66. PubMed ID: 12653535
[TBL] [Abstract][Full Text] [Related]
8. Computational modeling of biologically active molecules using NMR spectra.
Beger RD
Drug Discov Today; 2006 May; 11(9-10):429-35. PubMed ID: 16635805
[TBL] [Abstract][Full Text] [Related]
9. Atom-based 3D-chiral quadratic indices. Part 2: prediction of the corticosteroid-binding globulinbinding affinity of the 31 benchmark steroids data set.
Castillo-Garit JA; Marrero-Ponce Y; Torrens F
Bioorg Med Chem; 2006 Apr; 14(7):2398-408. PubMed ID: 16325409
[TBL] [Abstract][Full Text] [Related]
10. Combined 3D-QSAR modeling and molecular docking study on indolinone derivatives as inhibitors of 3-phosphoinositide-dependent protein kinase-1.
AbdulHameed MD; Hamza A; Liu J; Zhan CG
J Chem Inf Model; 2008 Sep; 48(9):1760-72. PubMed ID: 18717540
[TBL] [Abstract][Full Text] [Related]
11. Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 1. Method and validations.
So SS; Karplus M
J Med Chem; 1997 Dec; 40(26):4347-59. PubMed ID: 9435904
[TBL] [Abstract][Full Text] [Related]
12. Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor.
Xu Y; Liu H; Niu C; Luo C; Luo X; Shen J; Chen K; Jiang H
Bioorg Med Chem; 2004 Dec; 12(23):6193-208. PubMed ID: 15519163
[TBL] [Abstract][Full Text] [Related]
13. Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors.
Dai Y; Wang Q; Zhang X; Jia S; Zheng H; Feng D; Yu P
Eur J Med Chem; 2010 Dec; 45(12):5612-20. PubMed ID: 20926163
[TBL] [Abstract][Full Text] [Related]
14. (13)C NMR and electron ionization mass spectrometric data-activity relationship model of estrogen receptor binding.
Beger RD; Freeman JP; Lay JO; Wilkes JG; Miller DW
Toxicol Appl Pharmacol; 2000 Nov; 169(1):17-25. PubMed ID: 11076692
[TBL] [Abstract][Full Text] [Related]
15. Mapping the binding site of a large set of quinazoline type EGF-R inhibitors using molecular field analyses and molecular docking studies.
Hou T; Zhu L; Chen L; Xu X
J Chem Inf Comput Sci; 2003; 43(1):273-87. PubMed ID: 12546563
[TBL] [Abstract][Full Text] [Related]
16. Characterization by NMR and molecular modeling of the binding of polyisoprenols and polyisoprenyl recognition sequence peptides: 3D structure of the complexes reveals sites of specific interactions.
Zhou GP; Troy FA
Glycobiology; 2003 Feb; 13(2):51-71. PubMed ID: 12626407
[TBL] [Abstract][Full Text] [Related]
17. Binding interaction analysis of the active site and its inhibitors for neuraminidase (N1 subtype) of human influenza virus by the integration of molecular docking, FMO calculation and 3D-QSAR CoMFA modeling.
Zhang Q; Yang J; Liang K; Feng L; Li S; Wan J; Xu X; Yang G; Liu D; Yang S
J Chem Inf Model; 2008 Sep; 48(9):1802-12. PubMed ID: 18707092
[TBL] [Abstract][Full Text] [Related]
18. Linear indices of the "molecular pseudograph's atom adjacency matrix": definition, significance-interpretation, and application to QSAR analysis of flavone derivatives as HIV-1 integrase inhibitors.
Marrero-Ponce Y
J Chem Inf Comput Sci; 2004; 44(6):2010-26. PubMed ID: 15554670
[TBL] [Abstract][Full Text] [Related]
19. QSAR study on (13)C NMR chemical shifts on carbinol carbon atoms.
Jaiswal M; Khadikar P
Bioorg Med Chem; 2004 Apr; 12(7):1793-8. PubMed ID: 15028269
[TBL] [Abstract][Full Text] [Related]
20. Quantum chemical and nuclear magnetic resonance spectral studies on molecular properties and electronic structure of berberine and berberrubine.
Tripathi AN; Chauhan L; Thankachan PP; Barthwal R
Magn Reson Chem; 2007 Aug; 45(8):647-55. PubMed ID: 17559166
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
