Antimicrobial drug discovery: emerging strategies, p. 232-246
DOI: 10.1079/9781845939434.0232
Abstract This chapter describes the successful application of the HADDOCK - high-ambiguity-driven biomolecular docking - program in the evaluation of protein-small ligand docking, which is currently being used for discovering new antimicrobial agents. Key fundamental concepts relevant to data-driven biomolecular docking, both theoretical and technical, are discussed.