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Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go
Author(s) -
Moitessier N,
Englebienne P,
Lee D,
Lawandi J,
Corbeil C R
Publication year - 2008
Publication title -
british journal of pharmacology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.432
H-Index - 211
eISSN - 1476-5381
pISSN - 0007-1188
DOI - 10.1038/sj.bjp.0707515
Subject(s) - docking (animal) , computer science , virtual screening , drug discovery , drug development , data science , machine learning , artificial intelligence , bioinformatics , drug , pharmacology , medicine , biology , nursing
Accelerating the drug discovery process requires predictive computational protocols capable of reducing or simplifying the synthetic and/or combinatorial challenge. Docking‐based virtual screening methods have been developed and successfully applied to a number of pharmaceutical targets. In this review, we first present the current status of docking and scoring methods, with exhaustive lists of these. We next discuss reported comparative studies, outlining criteria for their interpretation. In the final section, we describe some of the remaining developments that would potentially lead to a universally applicable docking/scoring method. British Journal of Pharmacology (2008) 153 , S7–S26; doi: 10.1038/sj.bjp.0707515 ; published online 26 November 2007