eCheminfo Euro 2018 - Program
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 |