Planning
Monday, September 26, 2016
| Time |
Event |
|
|
11:00 - 13:00
|
Welcome to participants - Welcome |
|
|
13:00 - 13:45
|
Lunch |
|
|
13:45 - 14:00
|
General introduction - F. de Lamotte, L. Chaloin |
|
|
14:00 - 15:30
|
Bioinformatic tools - Sequence analysis |
|
|
15:30 - 16:30
|
Databases presentation |
|
|
16:30 - 16:45
|
Coffee break |
|
|
16:45 - 18:15
|
Binding energy / Free energy perturbation |
|
|
18:15 - 19:00
|
Flash presentation of candidates |
|
|
19:00 - 19:30
|
Software installation - Software installation |
|
|
19:30 - 19:45
|
Welcome drink |
|
|
19:45 - 21:00
|
Dinner |
|
Tuesday, September 27, 2016
| Time |
Event |
|
|
08:30 - 10:00
|
Molecular Modelling (by homology / Ab initio) |
|
|
10:00 - 11:00
|
Practical: 3D model building and quality control |
|
|
11:00 - 11:15
|
Coffee break |
|
|
11:15 - 12:30
|
Practical: from codon to phenotype |
|
|
12:30 - 12:40
|
Presntation of the organizing Society: GGMM - N. Colloc'h |
|
|
12:40 - 13:45
|
Lunch |
|
|
14:00 - 15:00
|
Drug design (modelling and databases) |
|
|
15:00 - 16:30
|
Docking - Scoring |
|
|
16:30 - 16:45
|
Coffee break |
|
|
16:45 - 18:30
|
Biomolecular interactions - Docking excercices |
|
|
18:30 - 19:45
|
Conference by Pedro Renault - "Dynamic allostery as revealed by computational simulations: the case of the major cathepsin L of Trypanosoma brucei" - Pedro Renault (CBS - Montpellier) |
|
|
19:45 - 21:00
|
Dinner |
|
Wednesday, September 28, 2016
| Time |
Event |
|
|
08:30 - 10:00
|
Molecular dynamics - normal modes |
|
|
10:00 - 11:00
|
Practical: protein folding / domain motions / Binding energy |
|
|
11:00 - 11:15
|
Coffee break |
|
|
11:15 - 12:30
|
Coarse-grained molecular dynamics and examples |
|
|
12:30 - 13:45
|
Lunch |
|
|
14:00 - 16:00
|
Quantum mechanics and drug design |
|
|
16:00 - 16:15
|
Coffee break |
|
|
16:15 - 18:30
|
3D visualizations and dynamics |
|
|
19:30 - 21:00
|
Dinner |
|
Thursday, September 29, 2016
| Time |
Event |
|
|
08:30 - 10:00
|
Practical on participant's projects |
|
|
10:00 - 11:00
|
Practical: QM/MM for drug design |
|
|
11:00 - 11:15
|
Coffee break |
|
|
11:15 - 12:30
|
Practical: interactive dynamics |
|
|
12:30 - 13:45
|
Lunch |
|
|
14:00 - 15:00
|
Departure of the participants - Departure of paticipants |
|
|
