Planning

Week Mon. 26 Tue. 27 Wed. 28 Thu. 29 List

	Mon. 26	Tue. 27	Wed. 28	Thu. 29
08:00 09:00 10:00 11:00 12:00 13:00 14:00 15:00 16:00 17:00 18:00 19:00 20:00 21:00	Welcome to participants 11:00 - 13:00 (2h) Welcome to participants Lunch 13:00 - 13:45 (45min) Lunch General introduction 13:45 - 14:00 (15min) General introduction F. de Lamotte, L. Chaloin Bioinformatic tools - Sequence analysis 14:00 - 15:30 (1h30) Bioinformatic tools - Sequence analysis Databases presentation 15:30 - 16:30 (1h) Databases presentation Coffee break 16:30 - 16:45 (15min) Coffee break Binding energy / Free energy perturbation 16:45 - 18:15 (1h30) Binding energy / Free energy perturbation Flash presentation of candidates 18:15 - 19:00 (45min) Flash presentation of candidates Software installation 19:00 - 19:30 (30min) Software installation Software installation Welcome drink 19:30 - 19:45 (15min) Welcome drink Dinner 19:45 - 21:00 (1h15) Dinner	Molecular Modelling (by homology / Ab initio) 8:30 - 10:00 (1h30) Molecular Modelling (by homology / Ab initio) Practical: 3D model building and quality control 10:00 - 11:00 (1h) Practical: 3D model building and quality control Coffee break 11:00 - 11:15 (15min) Coffee break Practical: from codon to phenotype 11:15 - 12:30 (1h15) Practical: from codon to phenotype Presntation of the organizing Society: GGMM 12:30 - 12:40 (10min) Presntation of the organizing Society: GGMM N. Colloc'h Lunch 12:40 - 13:45 (1h05) Lunch Drug design (modelling and databases) 14:00 - 15:00 (1h) Drug design (modelling and databases) Docking - Scoring 15:00 - 16:30 (1h30) Docking - Scoring Coffee break 16:30 - 16:45 (15min) Coffee break Biomolecular interactions - Docking excercices 16:45 - 18:30 (1h45) Biomolecular interactions - Docking excercices Conference by Pedro Renault - "Dynamic allostery as revealed by computational simulations: the case of the major cathepsin L of Trypanosoma brucei" 18:30 - 19:45 (1h15) 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) https://modyn.sciencesconf.org/data/program/Pedro_Renault_abstract.doc Dinner 19:45 - 21:00 (1h15) Dinner	Molecular dynamics - normal modes 8:30 - 10:00 (1h30) Molecular dynamics - normal modes Practical: protein folding / domain motions / Binding energy 10:00 - 11:00 (1h) Practical: protein folding / domain motions / Binding energy Coffee break 11:00 - 11:15 (15min) Coffee break Coarse-grained molecular dynamics and examples 11:15 - 12:30 (1h15) Coarse-grained molecular dynamics and examples Lunch 12:30 - 13:45 (1h15) Lunch Quantum mechanics and drug design 14:00 - 16:00 (2h) Quantum mechanics and drug design Coffee break 16:00 - 16:15 (15min) Coffee break 3D visualizations and dynamics 16:15 - 18:30 (2h15) 3D visualizations and dynamics Dinner 19:30 - 21:00 (1h30) Dinner	Practical on participant's projects 8:30 - 10:00 (1h30) Practical on participant's projects Practical: QM/MM for drug design 10:00 - 11:00 (1h) Practical: QM/MM for drug design Coffee break 11:00 - 11:15 (15min) Coffee break Practical: interactive dynamics 11:15 - 12:30 (1h15) Practical: interactive dynamics Lunch 12:30 - 13:45 (1h15) Lunch Departure of the participants 14:00 - 15:00 (1h) Departure of the participants

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