title: Incorporating protein flexibility into docking and structure-based drug design.
abstract: The use of structure in drug design has become widespread, mainly thanks to recent advances in crystallography. Nevertheless, biological macromolecules are intrinsically flexible and it is increasingly evident that their function depends critically on both their structure and dynamics. In this review the authors discuss the implications of protein flexibility for drug design and review recent progress in incorporating protein flexibility into docking and structure-based drug design.
authors.affiliation: ICREA and Universitat de Barcelona, Departament de Fisicoquímica, Facultat de Farmàcia, Av. Joan XXIII, s/n. 08028 - Barcelona, Spain. xbarril@ub.edu.
authors.forename: Xavier
authors.initials: X
authors.lastname: Barril
authors.forename: Xavier
authors.initials: X
authors.lastname: Fradera