Literature DB >> 7751871

DBMAKER: a set of programs to generate three-dimensional databases based upon user-specified criteria.

C M Ho1, G R Marshall.   

Abstract

DBMAKER is a program that, in conjunction with CONCORD, generates three-dimensional structural databases. Numerous user-defined parameters monitor content, composition, size and connectivity information, but allow the program to generate random compounds within the scope of these constraints. SMILES string representations are generated, and conversion to 3D is performed by CONCORD. This assures high-quality 3D structures and portability to numerous proprietary storage formats. Methods are described to maintain compound registration, allowing database expansion as required without duplication.

Mesh：

Year:  1995        PMID： 7751871     DOI： 10.1007/BF00117279

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


  8 in total

1.  Cavity search: an algorithm for the isolation and display of cavity-like binding regions.

Authors:  C M Ho; G R Marshall
Journal:  J Comput Aided Mol Des       Date:  1990-12       Impact factor: 3.686

Review 2.  3D database searching in drug design.

Authors:  Y C Martin
Journal:  J Med Chem       Date:  1992-06-12       Impact factor: 7.446

Review 3.  Recent advances in the design of HIV proteinase inhibitors.

Authors:  J A Martin
Journal:  Antiviral Res       Date:  1992-04       Impact factor: 5.970

4.  Constrained search of conformational hyperspace.

Authors:  R A Dammkoehler; S F Karasek; E F Shands; G R Marshall
Journal:  J Comput Aided Mol Des       Date:  1989-03       Impact factor: 3.686

5.  Searching for pharmacophores in large coordinate data bases and its use in drug design.

Authors:  R P Sheridan; A Rusinko; R Nilakantan; R Venkataraghavan
Journal:  Proc Natl Acad Sci U S A       Date:  1989-10       Impact factor: 11.205

6.  FOUNDATION: a program to retrieve all possible structures containing a user-defined minimum number of matching query elements from three-dimensional databases.

Authors:  C M Ho; G R Marshall
Journal:  J Comput Aided Mol Des       Date:  1993-02       Impact factor: 3.686

7.  Aminodiol HIV protease inhibitors. 1. Design, synthesis, and preliminary SAR.

Authors:  J C Barrish; E Gordon; M Alam; P F Lin; G S Bisacchi; P Chen; P T Cheng; A W Fritz; J A Greytok; M A Hermsmeier
Journal:  J Med Chem       Date:  1994-06-10       Impact factor: 7.446

8.  Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.

Authors:  J T Bolin; D J Filman; D A Matthews; R C Hamlin; J Kraut
Journal:  J Biol Chem       Date:  1982-11-25       Impact factor: 5.157
  8 in total
  1 in total

1.  Mimicking dominant negative inhibition of prion replication through structure-based drug design.

Authors:  V Perrier; A C Wallace; K Kaneko; J Safar; S B Prusiner; F E Cohen
Journal:  Proc Natl Acad Sci U S A       Date:  2000-05-23       Impact factor: 11.205
  1 in total

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