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Literature DB >> 12549671

Filtering databases and chemical libraries.

Paul S Charifson¹, W Patrick Walters.

Abstract

Mesh：

Substances：
Ligands
Peptides

Year: 2002 PMID： 12549671 DOI： 10.1023/a:1021316023707

Source DB: PubMed Journal: Mol Divers ISSN： 1381-1991 Impact factor: 2.943

× No keyword cloud information.

30 in total

1. Strategic pooling of compounds for high-throughput screening.

Authors: M Hann; B Hudson; X Lewell; R Lifely; L Miller; N Ramsden
Journal: J Chem Inf Comput Sci Date: 1999 Sep-Oct

2. Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.

Authors: P S Charifson; J J Corkery; M A Murcko; W P Walters
Journal: J Med Chem Date: 1999-12-16 Impact factor: 7.446

3. Efficient combinatorial filtering for desired molecular properties of reaction products.

Authors: S Shi; Z Peng; J Kostrowicki; G Paderes; A Kuki
Journal: J Mol Graph Model Date: 2000 Aug-Oct Impact factor: 2.518

4. A scoring scheme for discriminating between drugs and nondrugs.

Authors: J Sadowski; H Kubinyi
Journal: J Med Chem Date: 1998-08-27 Impact factor: 7.446

5. Can we learn to distinguish between "drug-like" and "nondrug-like" molecules?

Authors: A Ajay; W P Walters; M A Murcko
Journal: J Med Chem Date: 1998-08-27 Impact factor: 7.446

6. Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.

Authors: M D Eldridge; C W Murray; T R Auton; G V Paolini; R P Mee
Journal: J Comput Aided Mol Des Date: 1997-09 Impact factor: 3.686

7. A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases.

Authors: A K Ghose; V N Viswanadhan; J J Wendoloski
Journal: J Comb Chem Date: 1999-01

8. Efficient discovery of inhibitory ligands for diverse targets from a small combinatorial chemical library of chimeric molecules.

Authors: D S Thorpe; A W Edith Chan; A Binnie; L C Chen; A Robinson; J Spoonamore; D Rodwell; S Wade; S Wilson; M Ackerman-Berrier; H Yeoman; S Walle; Q Wu; K F Wertman
Journal: Biochem Biophys Res Commun Date: 1999-12-09 Impact factor: 3.575

9. Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure.

Authors: R L DesJarlais; R P Sheridan; G L Seibel; J S Dixon; I D Kuntz; R Venkataraghavan
Journal: J Med Chem Date: 1988-04 Impact factor: 7.446