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Literature DB >> 12489681

Filtering databases and chemical libraries.

Paul S Charifson¹, W Patrick Walters.

Abstract

Mesh：

Year: 2002 PMID： 12489681 DOI： 10.1023/a:1020829519597

Source DB: PubMed Journal: J Comput Aided Mol Des ISSN： 0920-654X Impact factor: 3.686

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33 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. 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

5. 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

6. Active-site-directed 3D database searching: pharmacophore extraction and validation of hits.

Authors: D E Clark; D R Westhead; R A Sykes; C W Murray
Journal: J Comput Aided Mol Des Date: 1996-10 Impact factor: 3.686

7. 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

8. A geometric approach to macromolecule-ligand interactions.

Authors: I D Kuntz; J M Blaney; S J Oatley; R Langridge; T E Ferrin
Journal: J Mol Biol Date: 1982-10-25 Impact factor: 5.469

9. A study of the binding requirements of calyculin A and dephosphonocalyculin A with PP1, development of a molecular recognition model for the binding interactions of the okadaic acid class of compounds with PP1.

Authors: K E Volter; K J Embrey; G K Pierens; R J Quinn
Journal: Eur J Pharm Sci Date: 2001-01 Impact factor: 4.384

10. Molecular modeling studies of human A3 adenosine antagonists: structural homology and receptor docking.

Authors: S Moro; A H Li; K A Jacobson
Journal: J Chem Inf Comput Sci Date: 1998 Nov-Dec

7 in total

1. Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers.

Authors: Aurélien Monge; Alban Arrault; Christophe Marot; Luc Morin-Allory
Journal: Mol Divers Date: 2006-09-21 Impact factor: 2.943

2. Natural products as DNA methyltransferase inhibitors: a computer-aided discovery approach.

Authors: Jose L Medina-Franco; Fabian López-Vallejo; Dirk Kuck; Frank Lyko
Journal: Mol Divers Date: 2010-08-10 Impact factor: 2.943

3. Comparative Analyses of Medicinal Chemistry and Cheminformatics Filters with Accessible Implementation in Konstanz Information Miner (KNIME).

Authors: Sebastjan Kralj; Marko Jukič; Urban Bren
Journal: Int J Mol Sci Date: 2022-05-20 Impact factor: 6.208

4. Identification and prioritization of novel anti-Wolbachia chemotypes from screening a 10,000-compound diversity library.

Authors: Kelly L Johnston; Darren A N Cook; Neil G Berry; W David Hong; Rachel H Clare; Megan Goddard; Louise Ford; Gemma L Nixon; Paul M O'Neill; Stephen A Ward; Mark J Taylor
Journal: Sci Adv Date: 2017-09-27 Impact factor: 14.136