Joint PROTEO/CERMM workshop

CHARMM: Chemistry at HARvard Molecular Mechanics

Instructors/Lecturers:
- Prof. Alexander D. MacKerell, Jr. (University of Maryland)
- Prof. Patrick Lagüe (Université Laval, PROTEO)
- Prof. Guillaume Lamoureux (Concordia University, CERMM & PROTEO)
- Olivier Fisette (Université Laval, PROTEO)

List of Participants

SCHEDULE: Course material is embedded in the schedule below

Day 1 (Friday, March 12th, 2010)
9:00 - 9:30: Registration and Breakfast
9:30 - 11:30: TUTORIAL: Introduction to Linux OS (Fisette)
11:30 - 12:00: Break
12:00 - 13:00: LECTURE: Introduction to force fields and molecular dynamics (Lamoureux)
13:00 - 14:30: Lunch
14:30 - 16:00: CERMM SEMINAR: Optimizing ligand-protein interactions via SILCS: Site Identification by Ligand Competitive Saturation (MacKerell)
16:00 - 17:00: LECTURE: CGenFF: The CHARMM General Force Field (MacKerell)
17:00 - 19:00: Reception

DAY 2 (Saturday, March 13th, 2010)
9:00 - 9:30: Breakfast
9:30 - 13:00: TUTORIAL: System construction in CHARMM (Lagüe)
13:00 - 14:00: Lunch
14:00 - 17:00: TUTORIAL: Molecular dynamics in CHARMM and NAMD (Lamoureux)