122 related articles for article (PubMed ID: 17149875)
1. Progressive docking: a hybrid QSAR/docking approach for accelerating in silico high throughput screening.
Cherkasov A; Ban F; Li Y; Fallahi M; Hammond GL
J Med Chem; 2006 Dec; 49(25):7466-78. PubMed ID: 17149875
[TBL] [Abstract][Full Text] [Related]
2. Multi-target QSAR and docking study of steroids binding to corticosteroid-binding globulin and sex hormone-binding globulin.
Nikolic K; Filipic S; Agbaba D
Curr Comput Aided Drug Des; 2012 Dec; 8(4):296-308. PubMed ID: 22242800
[TBL] [Abstract][Full Text] [Related]
3. Successful in silico discovery of novel nonsteroidal ligands for human sex hormone binding globulin.
Cherkasov A; Shi Z; Fallahi M; Hammond GL
J Med Chem; 2005 May; 48(9):3203-13. PubMed ID: 15857126
[TBL] [Abstract][Full Text] [Related]
4. An updated steroid benchmark set and its application in the discovery of novel nanomolar ligands of sex hormone-binding globulin.
Cherkasov A; Ban F; Santos-Filho O; Thorsteinson N; Fallahi M; Hammond GL
J Med Chem; 2008 Apr; 51(7):2047-56. PubMed ID: 18330978
[TBL] [Abstract][Full Text] [Related]
5. Molecular docking, QSAR and ADMET based mining of natural compounds against prime targets of HIV.
Vora J; Patel S; Sinha S; Sharma S; Srivastava A; Chhabria M; Shrivastava N
J Biomol Struct Dyn; 2019 Jan; 37(1):131-146. PubMed ID: 29268664
[TBL] [Abstract][Full Text] [Related]
6. In silico identification of anthropogenic chemicals as ligands of zebrafish sex hormone binding globulin.
Thorsteinson N; Ban F; Santos-Filho O; Tabaei SM; Miguel-Queralt S; Underhill C; Cherkasov A; Hammond GL
Toxicol Appl Pharmacol; 2009 Jan; 234(1):47-57. PubMed ID: 18725242
[TBL] [Abstract][Full Text] [Related]
7. Designing of multi-targeted molecules using combination of molecular screening and in silico drug cardiotoxicity prediction approaches.
Buturak B; Durdagi S; Noskov SY; Ildeniz AT
J Mol Graph Model; 2014 May; 50():16-34. PubMed ID: 24699019
[TBL] [Abstract][Full Text] [Related]
8. 3D QSAR selectivity analyses of carbonic anhydrase inhibitors: insights for the design of isozyme selective inhibitors.
Weber A; Böhm M; Supuran CT; Scozzafava A; Sotriffer CA; Klebe G
J Chem Inf Model; 2006; 46(6):2737-60. PubMed ID: 17125213
[TBL] [Abstract][Full Text] [Related]
9. Using molecular docking, 3D-QSAR, and cluster analysis for screening structurally diverse data sets of pharmacological interest.
Santos-Filho OA; Cherkasov A
J Chem Inf Model; 2008 Oct; 48(10):2054-65. PubMed ID: 18816024
[TBL] [Abstract][Full Text] [Related]
10. GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm.
Li H; Li C; Gui C; Luo X; Chen K; Shen J; Wang X; Jiang H
Bioorg Med Chem Lett; 2004 Sep; 14(18):4671-6. PubMed ID: 15324886
[TBL] [Abstract][Full Text] [Related]
11. A systematic quantitative approach to rational drug design and discovery of novel human carbonic anhydrase IX inhibitors.
Sethi KK; Verma SM
J Enzyme Inhib Med Chem; 2014 Aug; 29(4):571-81. PubMed ID: 24090419
[TBL] [Abstract][Full Text] [Related]
12. Comparison of ligand-based and structure-based 3D-QSAR approaches: a case study on (aryl-)bridged 2-aminobenzonitriles inhibiting HIV-1 reverse transcriptase.
Sciabola S; Carosati E; Baroni M; Mannhold R
J Med Chem; 2005 Jun; 48(11):3756-67. PubMed ID: 15916427
[TBL] [Abstract][Full Text] [Related]
13. Discovery of Novel DPP-IV Inhibitors as Potential Candidates for the Treatment of Type 2
Musoev A; Numonov S; You Z; Gao H
Molecules; 2019 Aug; 24(16):. PubMed ID: 31394858
[TBL] [Abstract][Full Text] [Related]
14. Virtual screening of novel noncovalent inhibitors for SARS-CoV 3C-like proteinase.
Liu Z; Huang C; Fan K; Wei P; Chen H; Liu S; Pei J; Shi L; Li B; Yang K; Liu Y; Lai L
J Chem Inf Model; 2005; 45(1):10-17. PubMed ID: 15667124
[TBL] [Abstract][Full Text] [Related]
15. CoMFA 3D-QSAR analysis of HIV-1 RT nonnucleoside inhibitors, TIBO derivatives based on docking conformation and alignment.
Zhou Z; Madura JD
J Chem Inf Comput Sci; 2004; 44(6):2167-78. PubMed ID: 15554687
[TBL] [Abstract][Full Text] [Related]
16. Multi-Layer Identification of Highly-Potent ABCA1 Up-Regulators Targeting LXRβ Using Multiple QSAR Modeling, Structural Similarity Analysis, and Molecular Docking.
Chen M; Yang F; Kang J; Yang X; Lai X; Gao Y
Molecules; 2016 Nov; 21(12):. PubMed ID: 27916850
[TBL] [Abstract][Full Text] [Related]
17. Structural Investigation of Vinca Domain Tubulin Binders by Pharmacophore, Atom based QSAR, Docking and Molecular Dynamics Simulations.
Athar M; Lone MY; Khedkar VM; Radadiya A; Shah A; Jha PC
Comb Chem High Throughput Screen; 2017; 20(8):682-695. PubMed ID: 28486912
[TBL] [Abstract][Full Text] [Related]
18. Computer-aided molecular design of highly potent HIV-1 RT inhibitors: 3D QSAR and molecular docking studies of efavirenz derivatives.
Pungpo P; Saparpakorn P; Wolschann P; Hannongbua S
SAR QSAR Environ Res; 2006 Aug; 17(4):353-70. PubMed ID: 16920659
[TBL] [Abstract][Full Text] [Related]
19. DrugScore meets CoMFA: adaptation of fields for molecular comparison (AFMoC) or how to tailor knowledge-based pair-potentials to a particular protein.
Gohlke H; Klebe G
J Med Chem; 2002 Sep; 45(19):4153-70. PubMed ID: 12213058
[TBL] [Abstract][Full Text] [Related]
20. Toward a hierarchical virtual screening and toxicity risk analysis for identifying novel CA XII inhibitors.
Nazarshodeh E; Gharaghani S
Biosystems; 2017 Dec; 162():35-43. PubMed ID: 28899791
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
