A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP

Patel, Y., Gillet, V.J., Bravi, G. et al. (1 more author) (2002) A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP. Journal of Computer-Aided Molecular Design, 16 (8-9). 653 - 681.

Abstract

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Authors/Creators:
  • Patel, Y.
  • Gillet, V.J.
  • Bravi, G.
  • Leach, A.R.
Copyright, Publisher and Additional Information: © 2002 Kluwer Academic Publishers. This is an author produced version of a paper subsequently published in Journal of Computer-Aided Molecular Design. Uploaded in accordance with the publisher's self-archiving policy.
Keywords: Pharmacophore identification; Protein ligand interactions; Pharmacophoric features; Structural alignment; conformational flexibility; HIV-1 REVERSE-TRANSCRIPTASE; HUMAN DIHYDROFOLATE-REDUCTASE; DRUG-RESISTANCE MUTATIONS; HUMAN ALPHA-THROMBIN; CRYSTAL-STRUCTURES; ACTIVE-SITE; NONNUCLEOSIDE INHIBITOR; X-RAY; CRYSTALLOGRAPHIC ANALYSIS; CONFORMATIONAL-CHANGES
Dates:
  • Published: August 2002
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Social Sciences (Sheffield) > Information School (Sheffield)
Depositing User: Symplectic Sheffield
Date Deposited: 23 Apr 2014 08:36
Last Modified: 23 Apr 2014 08:36
Published Version: http://dx.doi.org/10.1023/A:1021954728347
Status: Published
Publisher: Kluwer Academic Publishers
Refereed: Yes
Identification Number: https://doi.org/10.1023/A:1021954728347

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