Literature DB >> 8136328

Meeting on binding sites: characterizing and satisfying steric and chemical restraints. University of York, 28-30 March 1993.

T Slater1, D Timms.   

Abstract

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Year:  1993        PMID： 8136328     DOI： 10.1016/0263-7855(93)80005-c

Source DB:  PubMed          Journal:  J Mol Graph        ISSN： 0263-7855


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  5 in total

1.  A genetic algorithm for structure-based de novo design.

Authors:  S C Pegg; J J Haresco; I D Kuntz
Journal:  J Comput Aided Mol Des       Date:  2001-10       Impact factor: 3.686

2.  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

Review 3.  Evolutionary algorithms in computer-aided molecular design.

Authors:  D E Clark; D R Westhead
Journal:  J Comput Aided Mol Des       Date:  1996-08       Impact factor: 3.686

4.  Evaluation of a method for controlling molecular scaffold diversity in de novo ligand design.

Authors:  N P Todorov; P M Dean
Journal:  J Comput Aided Mol Des       Date:  1997-03       Impact factor: 3.686

5.  Parallel tempered genetic algorithm guided by deep neural networks for inverse molecular design.

Authors:  AkshatKumar Nigam; Robert Pollice; Alán Aspuru-Guzik
Journal:  Digit Discov       Date:  2022-05-03
  5 in total

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