Docking: Successes and Challenges

Title: Docking: Successes and Challenges

Volume: 11 Issue: 3

Author(s): Venkatraman Mohan, Alan C. Gibbs, Maxwell D. Cummings, Edward P. Jaeger and Renee L. DesJarlais

Affiliation:

Keywords: computational docking, nmr spectroscopy, virtual screening, diastereoisomers, receptor

Abstract: The state of the art of various computational aspects of docking-based virtual screening of database of small molecules is presented. The review encompasses the different search algorithms and the scoring functions used in docking methods and their applications to protein and nucleic acid drug targets. Recent progress made in the development and application of methods to include target flexibility are summarized. The fundamental issues and challenges involved in comparing various docking methods are discussed. Limitations of current technologies as well as future prospects are presented.

Cite this article as:

Mohan Venkatraman, Gibbs C. Alan, Cummings D. Maxwell, Jaeger P. Edward and DesJarlais L. Renee, Docking: Successes and Challenges, Current Pharmaceutical Design 2005; 11 (3) . https://dx.doi.org/10.2174/1381612053382106