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telconia's bookmarks matching tag docking

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Improving accuracy and efficiency of blind protein-ligand docking by focusing on predicted binding sites.

Dario Ghersi and Roberto Sanchez

Proteins, (17 Jul 2008)

info:pmid/18636505 | info:doi/10.1002/prot.22154

Posted by telconia to ligand-binding site docking Ligands Protein on Sat Jul 19 2008 at 21:02 UTC | info | related

Homology models of the cannabinoid CB1 and CB2 receptors. A docking analysis study.

Cristina Montero et al.

European journal of medicinal chemistry 40 (1), 75-83 (Jan 2005)

info:pmid/15642412 | info:doi/10.1016/j.ejmech.2004.10.002

Posted by telconia to docking CB1R homology modelling GPCR on Thu May 29 2008 at 21:20 UTC | info | related

Conformational analysis and receptor docking of N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide (taranabant, MK-0364), a novel, acyclic cannabinoid-1 receptor inverse agonist.

Linus S Lin et al.

Journal of medicinal chemistry 51 (7), 2108-14 (10 Apr 2008)

info:pmid/18333607 | info:doi/10.1021/jm7014974

Posted by telconia to homology modelling docking conformation GPCR on Sun May 18 2008 at 21:24 UTC | info | related

Ranking Targets in Structure-Based Virtual Screening of Three-Dimensional Protein Libraries: Methods and Problems.

Esther Kellenberger, Nicolas Foata, and Didier Rognan

Journal of chemical information and modeling, (16 Apr 2008)

info:pmid/18412328 | info:doi/10.1021/ci800023x

Posted by telconia to docking studies docking inverse screening on Mon Apr 28 2008 at 15:34 UTC | info | related

Prediction of metabolism by cytochrome P450 2C9: alignment and docking studies of a validated database of substrates.

Matthew J Sykes, Ross A McKinnon, and John O Miners

Journal of medicinal chemistry 51 (4), 780-91 (28 Feb 2008)

info:pmid/18237107 | info:doi/10.1021/jm7009793

Posted by telconia to rocs P450 CYP docking on Tue Apr 01 2008 at 20:25 UTC | info | related

Optimization of High Throughput Virtual Screening by Combining Shape-Matching and Docking Methods

Hui Lee et al.

Journal of Chemical Information and Modeling, (2008)

info:doi/10.1021/ci700376c

Posted by telconia to docking virtual screening on Fri Mar 21 2008 at 16:14 UTC | info | related

How to do an evaluation: pitfalls and traps.

Paul Hawkins et al.

J Comput Aided Mol Des, (23 Jan 2008)

info:pmid/18217218 | info:doi/10.1007/s10822-007-9166-3

Posted by telconia to diffraction-component precision index X-ray docking on Tue Feb 26 2008 at 10:23 UTC | info | related

Ph4Dock: pharmacophore-based protein-ligand docking.

Junichi Goto, Ryoichi Kataoka, and Noriaki Hirayama

Journal of medicinal chemistry 47 (27), 6804-11 (30 Dec 2004)

info:pmid/15615529 | info:doi/10.1021/jm0493818

Posted by telconia to diffraction-component precision index interaction Pharmacophore docking on Tue Feb 26 2008 at 10:21 UTC | info | related

Identifying the binding mode of a molecular scaffold.

Doron Chema et al.

Journal of computer-aided molecular design 18 (1), 23-40 (Jan 2004)

info:pmid/15143801 | info:doi/10.1023/B:JCAM.0000022561.76694.5b

Posted by telconia to interaction binding mode scaffold docking docking studies on Sun Jan 20 2008 at 21:27 UTC | info | related

CoMFA and Docking Studies on Glycogen Phosphorylase a Inhibitors as Antidiabetic Agents

Philip Prathipati, Gyanendra Pandey, and Anil Saxena

Journal of Chemical Information and Modeling 45 (1), 136 (2005)

info:doi/10.1021/ci049762u

Posted by telconia to glycogen phosphorylase CoMFA docking studies docking on Sun Jan 20 2008 at 19:09 UTC | info | related

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