In silico drug design

Lille, November 30th 2015

The Lille bioinformatics platform bilille is organizing a one-day symposium on molecular modeling for computer-aided drug design.

Recent years have seen a rapid development of molecular modeling and docking techniques in combination with high-throughput protein crystallography. These novel methods have allowed many a success story in the computer-assisted discovery of new drugs and has helped structure-based drug design to become increasingly effective in the development of target-based therapies. During this one-day symposium, a panel of experts will introduce, discuss and illustrate these innovative techniques.

The meeting will be held at the lecture hall of Campus CNRS Haute Borne, 50 Avenue Halley, in Villeneuve d'Ascq. The nearest metro station is 4 Cantons Grand stade, line 1. See access map.

The presentations of the speakers are now available (see below).


9:40-9:45 Introduction
9:45-10:30 Structural Biology and Drug Design : As simple as this... [slides]
Jérôme de Ruyck, UGSF, University of Lille
10:30-11:00Computational predictions of protein-ligand interaction: Methods and Applications [part 1]
Martine Prevost, ULB
11:00-11:15Coffee break
11:15-12:15 Computational predictions of protein-ligand interactions: Methods and Applications II [part 2]
Martine Prevost, ULB
12:15-12:50 New tricks for old drugs: using Fragment-based Drug Discovery and in silico screening for the discovery
of new ethionamide boosters. Nicolas Willand and Olivier Sperandio, UMR1177
12:50-13:45 Lunch
13:45-14:20 The ChEMBL database for drug discovery and drug design [slides]
Anna Gaulton, EMBL-EBI, Cambridge
14:20-14:55Fragment-based design to a novel allosteric pocket of the HCV NS3/4a protein [slides]
Henriette Willems, Takeda, Cambridge
14:55-15:30 New challenges in molecular docking: contribution of High Performance Computing [slides]
Eric Henon, Université de Reims
15:30-15:50Coffee break
15:50-16:25Molecular Modeling : Innovative Tools for Drug Discovery
Philippe Chavatte, Faculté de Pharmacie, University of Lille
16:25-17:00How can oncoprotein Ets-1 interact with DNA repair enzymes, PARP-1 and DNA-PK?
Jérôme de Ruyck, UGSF, University of Lille


Please send an email to before Thursday November 19th with the following information.

        November 30th 2015 - In silico drug design  

        First name :
        Last name :
        Affiliation/lab :
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Organizing committee