Literature DB >> 11350246

Diverse viewpoints on computational aspects of molecular diversity.

Y C Martin1.   

Abstract

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Year:  2001        PMID： 11350246     DOI： 10.1021/cc000073e

Source DB:  PubMed          Journal:  J Comb Chem        ISSN： 1520-4766


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  10 in total

1.  Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid libraries.

Authors:  Jürgen Bajorath
Journal:  J Comput Aided Mol Des       Date:  2002 May-Jun       Impact factor: 3.686

2.  Current trends in lead discovery: are we looking for the appropriate properties?

Authors:  Tudor I Oprea
Journal:  J Comput Aided Mol Des       Date:  2002 May-Jun       Impact factor: 3.686

3.  Use of alignment-free molecular descriptors in diversity analysis and optimal sampling of molecular libraries.

Authors:  Fabien Fontaine; Manuel Pastor; Hugo Gutiérrez-de-Terán; Juan J Lozano; Ferran Sanz
Journal:  Mol Divers       Date:  2003       Impact factor: 2.943

Review 4.  Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid libraries.

Authors:  Jürgen Bajorath
Journal:  Mol Divers       Date:  2002       Impact factor: 2.943

Review 5.  Current trends in lead discovery: are we looking for the appropriate properties?

Authors:  Tudor I Oprea
Journal:  Mol Divers       Date:  2002       Impact factor: 2.943

6.  Mapping protein pockets through their potential small-molecule binding volumes: QSCD applied to biological protein structures.

Authors:  Keith Mason; Nehal M Patel; Aric Ledel; Ciamac C Moallemi; Edward A Wintner
Journal:  J Comput Aided Mol Des       Date:  2004-01       Impact factor: 3.686

7.  Development of quantitative structure-binding affinity relationship models based on novel geometrical chemical descriptors of the protein-ligand interfaces.

Authors:  Shuxing Zhang; Alexander Golbraikh; Alexander Tropsha
Journal:  J Med Chem       Date:  2006-05-04       Impact factor: 7.446

8.  Inhibition of protein-protein interactions with low molecular weight compounds.

Authors:  Marilyn M Matthews; David J Weber; Paul S Shapiro; Andrew Coop; Alexander D Mackerell
Journal:  Curr Trends Med Chem       Date:  2008-01-01

9.  Anti-tubercular drug designing by structure based screening of combinatorial libraries.

Authors:  Payel Ghosh; Manish C Bagchi
Journal:  J Mol Model       Date:  2010-10-16       Impact factor: 1.810

10.  Quantifying biogenic bias in screening libraries.

Authors:  Jérôme Hert; John J Irwin; Christian Laggner; Michael J Keiser; Brian K Shoichet
Journal:  Nat Chem Biol       Date:  2009-05-31       Impact factor: 15.040
  10 in total

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