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What is Binding Site

Chapter 2
Handbook of Research on Computational and Systems Biology: Interdisciplinary Applications
A pocket, a groove or a protrusion having an assortment of apparent hydrogen bond donors and acceptors, hydrophobic features and it can be associated with molecular adherence surfaces.
Published in Chapter:
Virtual Screening: An Overview on Methods and Applications
Khaled H. Barakat (University of Alberta, Canada), Jonathan Y. Mane (University of Alberta, Canada), and Jack A. Tuszynski (University of Alberta, Canada)
Copyright: © 2011 |Pages: 33
DOI: 10.4018/978-1-60960-491-2.ch002
Abstract
Virtual screening, or VS, is emerging as a valuable tool in discovering new candidate inhibitors for many biologically relevant targets including the many chemotherapeutic targets that play key roles in cell signaling pathways. However, despite the great advances made in the field thus far, VS is still in constant development with a relatively low success rate that needs to be improved by parallel experimental validation methods. This chapter reviews the recent advances in VS, focusing on the range and type of computational methods and their successful applications in drug discovery. The chapter also discusses both the advantages and limitations of the various techniques used in VS and outlines a number of future directions in which the field may progress.
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