title: Computationally driven drug discovery meeting-3 - Verona (Italy): 4 - 6th of March 2014.
abstract: The following article reports on the results and the outcome of a meeting organised at the Aptuit Auditorium in Verona (Italy), which highlighted the current applications of state-of-the-art computational science to drug design in Italy. The meeting, which had > 100 people in attendance, consisted of over 40 presentations and included keynote lectures given by world-renowned speakers. The topics included in the meeting are areas related to ligand and structure-based ligand design and library design and screening; it also provided discussion pertaining to chemometrics. The meeting also stressed the importance of public-private collaboration and reviewed the different approaches to computationally driven drug discovery taken within academia and industry. The meeting helped define the current position of state-of-the-art computational drug discovery in Italy, pointing out criticalities and assets. This kind of focused meeting is important in the sense that it lends the opportunity of a restricted yet representative community of fellow professionals to deeply discuss the current methodological approaches and provide future perspectives for computationally driven drug discovery.
authors.affiliation: Università degli Studi di Parma, Dipartimento di Farmacia , Viale Area delle Scienze 27/A, 43124 Parma , Italy +39 052 1905055 ; Gabriele.costantino@unipr.it.
authors.forename: Gabriele
authors.initials: G
authors.lastname: Costantino
mesh_terms: D020650:Combinatorial Chemistry Techniques; D055808:Drug Discovery; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship
keywords: computational approaches; ligand-based; molecular dynamics; structure-based; virtual screening