Literature DB >> 2280264

Automated conformational analysis: algorithms for the efficient construction of low-energy conformations.

A R Leach1, K Prout, D P Dolata.   

Abstract

The method of constructing low-energy conformations using template joining can provide an efficient means of searching the conformational space of molecules. The simplest algorithm to perform this task would construct each potential conformation from scratch. However, new algorithms, some of which use techniques from Artificial Intelligence, have been developed which can greatly improve the efficiency of this approach.

Mesh:

Year:  1990        PMID: 2280264     DOI: 10.1007/bf00125015

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


  2 in total

1.  WIZARD: AI in conformational analysis.

Authors:  D P Dolata; A R Leach; K Prout
Journal:  J Comput Aided Mol Des       Date:  1987-04       Impact factor: 3.686

2.  An investigation into the construction of molecular models by the template joining method.

Authors:  A R Leach; K Prout; D P Dolata
Journal:  J Comput Aided Mol Des       Date:  1988-07       Impact factor: 3.686

  2 in total
  3 in total

1.  Distributed automated docking of flexible ligands to proteins: parallel applications of AutoDock 2.4.

Authors:  G M Morris; D S Goodsell; R Huey; A J Olson
Journal:  J Comput Aided Mol Des       Date:  1996-08       Impact factor: 3.686

2.  Cyclophosphamides as hypoxia-activated diffusible cytotoxins: a theoretical study.

Authors:  J H Wu; C A Reynolds
Journal:  J Comput Aided Mol Des       Date:  2000-05       Impact factor: 3.686

3.  Constitutional, configurational and conformational analysis of transition metal coordination complexes.

Authors:  A R Leach
Journal:  J Comput Aided Mol Des       Date:  1993-04       Impact factor: 3.686

  3 in total

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