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Chapter 8

Binding Free Energy Calculation and Scoring in Small-Molecule Docking

The correct functioning of the biochemical machinery within a cell depends upon the non-covalent molecular association in processes such as enzyme catalysis, molecular transport, and signal transduction. Until recently, high-throughput screening (HTS) has been the dominant technique within pharmaceu...
Print publication date: 15 Jun 2012
Copyright year: 2012
Print ISBN: 978-1-84973-353-3
PDF eISBN: 978-1-84973-537-7
From the book series:
Drug Discovery