Wed June 28th |
Morning |
Introductions of students
Richard Lavery Force fields
David Beck Molecular dynamics |
Afternoon |
Tru Huynh Introduction to Pasteur computing environment
Arnaud Blondel Molecular dynamics calculations (CHARMM)
Poster session |
Thur June 29 th |
Morning |
Tom Simonson Electrostatics
Rebecca Wade Brownian dynamics |
Afternoon
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|
Rebecca Wade Brownian dynamics (practical)
Poster session |
Fri June 30 th |
Morning |
Richard Lavery Monte Carlo technique
Alan Mark Free Energy Calculations |
Afternoon
top |
Arnaud Blondel Free energy calculations (practical)
Poster session |
| Sat July 1st |
Morning |
Michael Nilges Modelling with experimental data
Adrian Mulholland QM/MM |
Afternoon
top |
Adrian Mulholland QM/MM (practical)
|
| Sun July 2nd |
Morning |
Alan Mark Title to be announced
David Beck Title to be announced |
Afternoon
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Optional excursion to Versailles/ free time |
| Mon July 3rd |
Morning |
Leslie Kuhn Docking/Drug design
Konrad Hinsen Programming techniques |
Afternoon
top |
Konrad Hinsen Using MMTK (practical)
All Round Table |
| Tue July 4th |
Morning |
Leslie Kuhn Docking/ drug design (practical)
Anna Tramontano Homology modelling |
Afternoon |
Anna Tramontano Homology modelling (practical)
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