Literature DB >> 1403030

Automated site-directed drug design: searches of the Cambridge Structural Database for bond lengths in molecular fragments to be used for automated structure assembly.

P L Chau1, P M Dean.   

Abstract

In this paper a database of small frequently occurring molecular fragments is used for the determination of fragment bond lengths from the Cambridge Structural Database. A large number of bond types are described that have not been reported previously.

Mesh：

Year:  1992        PMID： 1403030     DOI： 10.1007/bf00125946

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


  2 in total

1.  Automated site-directed drug design: an assessment of the transferability of atomic residual charges (CNDO) for molecular fragments.

Authors:  P L Chau; P M Dean
Journal:  J Comput Aided Mol Des       Date:  1992-08       Impact factor: 3.686

2.  Automated site-directed drug design: the generation of a basic set of fragments to be used for automated structure assembly.

Authors:  P L Chau; P M Dean
Journal:  J Comput Aided Mol Des       Date:  1992-08       Impact factor: 3.686
  2 in total
  4 in total

1.  Automated site-directed drug design: an assessment of the transferability of atomic residual charges (CNDO) for molecular fragments.

Authors:  P L Chau; P M Dean
Journal:  J Comput Aided Mol Des       Date:  1992-08       Impact factor: 3.686

2.  Automated site-directed drug design: the generation of a basic set of fragments to be used for automated structure assembly.

Authors:  P L Chau; P M Dean
Journal:  J Comput Aided Mol Des       Date:  1992-08       Impact factor: 3.686

3.  A branch-and-bound method for optimal atom-type assignment in de novo ligand design.

Authors:  N P Todorov; P M Dean
Journal:  J Comput Aided Mol Des       Date:  1998-07       Impact factor: 3.686

4.  The atom assignment problem in automated de novo drug design. 1. Transferability of molecular fragment properties.

Authors:  M T Barakat; P M Dean
Journal:  J Comput Aided Mol Des       Date:  1995-08       Impact factor: 3.686
  4 in total

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