Literature DB >> 1613742

3D database searching in drug design.

Y C Martin1.   

Abstract

Mesh：

Year:  1992        PMID： 1613742     DOI： 10.1021/jm00090a001

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


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  35 in total

1.  A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching.

Authors:  J Mestres; D C Rohrer; G M Maggiora
Journal:  J Comput Aided Mol Des       Date:  2000-01       Impact factor: 3.686

2.  The utilization of a unified pharmacophore query in the discovery of new antagonists of the adenosine receptor family.

Authors:  T R Webb; N Melman; D Lvovskiy; X D Ji; K A Jacobson
Journal:  Bioorg Med Chem Lett       Date:  2000-01-03       Impact factor: 2.823

3.  Computer based screening of compound databases: 1. Preselection of benzamidine-based thrombin inhibitors.

Authors:  T Fox; E E Haaksma
Journal:  J Comput Aided Mol Des       Date:  2000-07       Impact factor: 3.686

4.  Reproducing the conformations of protein-bound ligands: a critical evaluation of several popular conformational searching tools.

Authors:  J Boström
Journal:  J Comput Aided Mol Des       Date:  2001-12       Impact factor: 3.686

5.  Integrating computational and mixture-based screening of combinatorial libraries.

Authors:  Austin B Yongye; Clemencia Pinilla; Jose L Medina-Franco; Marc A Giulianotti; Colette T Dooley; Jon R Appel; Adel Nefzi; Thomas Scior; Richard A Houghten; Karina Martínez-Mayorga
Journal:  J Mol Model       Date:  2010-09-21       Impact factor: 1.810

6.  Chemical space: missing pieces in cheminformatics.

Authors:  Sean Ekins; Rishi R Gupta; Eric Gifford; Barry A Bunin; Chris L Waller
Journal:  Pharm Res       Date:  2010-08-04       Impact factor: 4.200

7.  Discovery of novel selective serotonin reuptake inhibitors through development of a protein-based pharmacophore.

Authors:  Sankar Manepalli; Laura M Geffert; Christopher K Surratt; Jeffry D Madura
Journal:  J Chem Inf Model       Date:  2011-09-02       Impact factor: 4.956

Review 8.  Evaluation of machine-learning methods for ligand-based virtual screening.

Authors:  Beining Chen; Robert F Harrison; George Papadatos; Peter Willett; David J Wood; Xiao Qing Lewell; Paulette Greenidge; Nikolaus Stiefl
Journal:  J Comput Aided Mol Des       Date:  2007-01-05       Impact factor: 3.686

Review 9.  In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling.

Authors:  S Ekins; J Mestres; B Testa
Journal:  Br J Pharmacol       Date:  2007-06-04       Impact factor: 8.739

10.  NMR structure-based drug design.

Authors:  S W Fesik
Journal:  J Biomol NMR       Date:  1993-05       Impact factor: 2.835
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