Milano - Program

eCheminfo Euro 2018 - Program
Milano, Italy

MONDAY, 16 July

08:30 Registration Open  
09:00 Welcome and Introduction to Workshop Concept  
09:15 Key Note: Malaria Drug Discovery Methods Nicoletta Basilico, University of Milan
10:15 Introduction of Speakers and Case Studies  
12:00 Lunch  
13:00 From Library Preparation to Ligand-based and Structurebased Virtual Screening Alessandro Pedretti, University of Milan
14:00 Homology Modelling Ivano Eberini, University of Milan
15:00 Tutorials or Group Work on Case Studies  
17:00 Poster Session I  
18:30 End of Workday  


TUESDAY, 17 July



















09:00 Shape-based methods in lead discovery and lead hopping Paul Hawkins, OpenEye
10:00 Prepare to Be Squonked - Moving from Individual Tools to Complete Workflows Tim Dudgeon, Informatic Matters / Anthony Bradley, University of Oxford
11:00 Key Note: Novel Approaches to Drug Design and Development: Case Studies in Molecular Structure, Computation, Ligand-Receptor Interaction and Modelling Rosella Ombrato, Angelini
12:00 Tutorials  
13:00 Lunch  
15:00 Group Work on Case Studies  
18:30 End of Workday  


WEDNESDAY, 18 July





















09:00 Recent Computational Trends in Exploring G Protein-Coupled Receptor (GPCR) Ligand Recognition Pathways Stefano Moro, University of Padova
10:00 Key Note: Design of cyclopeptidic drugs Laura Belvisi / Monica Civera, University of Milan
11:00 Rescoring docking results by Molecular Dynamics and Nwat-MMGBSA calculations Alessandro Contini, University of Milan
12:00 Tutorials  
13:00 Lunch  
14:00 Tutorials or Group Work on Case Studies  
17:00 Poster Session II  
18:30 Social Reception  


THURSDAY, 19 July

09:00 Key Note: Aspects of industrial drug design Roman Affentranger, Roche
10:00 Pitfalls in docking calculations Thomas Exner, Douglas Connect
11:00 Understanding Modes-of-Action from Phenotypic Screens using Cheminformatics and Bioinformatics Approaches Andreas Bender & Lewis Mervin, Cambridge
12:00 Tutorials  
13:00 Lunch  
14:00 Group Work on Case Studies  
17:30 Social Event  


FRIDAY, 20 July



















09:00 Off-target-based toxicologic effects by SPILLO-PBSS Alessandro Di Domizio, University of Milan
10:00 Quantum mechanics in the hit-to-lead phase Adam Pecina, Istituto Italiano di Tecnologia, Genoa
11:00 Tutorials  
13:00 Lunch  
14:00 Group presentations of case studies results  
14:45 Awarding of workshop certifications  
15:00 End of workshop  

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