PRO-LIGAND: an approach to de novo molecular design. 3. A genetic algorithm for structure refinement

Recently, the development of computer programs which permit the de novo design of molecular structures satisfying a set of steric and chemical constraints has become a burgeoning area of research and many operational systems have been reported in the literature. Experience with PRO-LIGAND-the de nov...

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Veröffentlicht in:	Journal of computer-aided molecular design 1995-04, Vol.9 (2), p.139-148
Hauptverfasser:	Westhead, D R, Clark, D E, Frenkel, D, Li, J, Murray, C W, Robson, B, Waszkowycz, B
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Biological Evolution Computer Graphics Drug Design Methotrexate - chemistry Models, Genetic Models, Molecular Molecular Conformation Protein Conformation Pyrroles - chemistry Software
Online-Zugang:	Volltext
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