LEA3D

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Contents 1 Database Description 2 Authors 3 External Links 4 Contact Email 5 Paper

[edit] Database Description

LEA3D is an improved version of the program LEA, developed to design organic molecules. Genetic algorithms provide a practical tool for the investigation of Rational drug design. LEA3D is able to conceive organic molecules by combining 3D fragments extracted from both biological compounds and known drugs. A fitness function guides the search process in optimizing the molecules toward an optimal value of the properties. The fitness function is build up by combining several independent property evaluations, including the score provided by the FlexX docking program.

[edit] Authors

• Douguet D.
• Munier-Lehmann H.
• Labesse G.
• Pochet S.

[edit] External Links

http://bioserv.cbs.cnrs.fr/HTML_BIO/frame_lea.html

[edit] Contact Email

No link

[edit] Paper

Douguet D, Munier-Lehmann H, Labesse G, Pochet S. LEA3D: a computer-aided ligand design for structure-based drug design. J Med Chem. 2005 Apr 7;48(7):2457-68.