Lead Generation and Optimization Based on Protein-Ligand Complementarity

Lead Generation and Optimization Based on Protein-Ligand Complementarity

This work proposes a computational procedure for structure-based lead generation and optimization, which relies on the complementarity of the protein-ligand interactions. This procedure takes as input the known structure of a protein-ligand complex. Retaining the positions of the ligand heavy atoms...

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Bibliographic Details
Main Authors: Koji Ogata, Tetsu Isomura, Shinji Kawata, Hiroshi Yamashita, Hideo Kubodera, Shoshana J. Wodak
Format: Article
Language:English
Published: MDPI AG 2010-06-01
Series:Molecules
Subjects:
lock-and-key problem
computational structure-based drug design
lead generation
lead optimization
Online Access:http://www.mdpi.com/1420-3049/15/6/4382/

Internet

http://www.mdpi.com/1420-3049/15/6/4382/

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