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MOLECULAR DOCKING: An example of grid enabled applications

✍ Scribed by Erwin Tantoso; Habibah A. Wahab; Huah Yong Chan

Book ID: 105702761
Publisher: Springer
Year: 2004
Tongue: English
Weight: 116 KB
Volume: 22
Category: Article
ISSN: 0288-3635
DOI: 10.1007/bf03040958

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## Abstract The influence of various factors on the accuracy of protein‐ligand docking is examined. The factors investigated include the role of a grid representation of protein‐ligand interactions, the initial ligand conformation and orientation, the sampling rate of the energy hyper‐surface, and