36th Molecular Modelling Workshop 2024 MGMS-DS e.V. Logo
36th Molecular Modelling Workshop 2024

Program: Monday, March 4th 2024
11:00 - 14:00
Registration (Chemikum)
 
10:00 - 12:00
Pre-Conference workshop:
ProteinsPlus – Supporting Structure-Based Design on the Web (Chemikum)
11:15 - 12:10
Satellite-Event (Hörsaal C1, Chemikum):
Prof. Alexandre Tkatchenko, University of Luxemburg
Towards Quantum Force Fields Using Quantum Charged Oscillators

No registration or fee required!
14:00 - 14:10
Welcome remarks / Agenda review
14:10 - 14:35
L1: 
14:35 - 15:00
L2: 
15:00 - 15:50
Plenary 1: Dr. Andreas W. Götz, San Diego Supercomputer Center
GPU accelerated QM/MM molecular dynamics simulations of biomolecular systems
15:50 - 16:30
Coffee break
16:30 - 16:55
L3: 
16:55 - 17:20
L4: 
17:20 - 17:45
L5: 
 
18:00 - 19:00
Annual Meeting of the MGMS-DS e.V.
19:30
Buffet - Dinner

 

Program: Tuesday, March 5th 2024
09:00 - 09:25
L6: 
09:25 - 09:50
L7: 
09:50 - 10:15
L8: 
10:15 - 10:55
Coffee break & Conference photo
10:55 - 11:20
L9: 
11:20 - 12:10
Plenary 2: Matthias DeGroote, Boehringer Inhelheim B.V.
A perspective on Drug-Design with quantum computers
12:10 - 13:30
Lunch
13:30 - 15:00
Poster Session
15:00 - 15:25
L10: 
15:25 - 15:50
L11: 
15:50 - 16:10
Coffee break
16:10 - 16:35
L12: 
16:35 - 17:00
L13: 
17:00 - 17:25
L14: 
17:25 - 18:15
Plenary 3: Sereina Riniker, ETH Zürich
Efficient free-energy calculations with a multi-state method
19:00
MMWS Social Event @ "Steinbach Bräu", Vierzigmannstraße 4, Erlangen

 

Program: Wednesday, March 6th 2024
Topic: t.b.a.
09:00 - 09:25
L15: 
09:25 - 09:50
L16: 
09:50 - 10:40
Plenary 4: Val Gillet, Univerity Sheffield
Reaction-based De Novo Design
10:40 - 11:10
Coffee break
11:10 - 11:35
L17: 
11:35 - 12:00
L18: 
12:00 - 12:25
L19: 
12:25 - 12:50
L20: 
12:50 - 13:15
Poster & Lecture awards, Closing & Good Bye
14:00 - 16:00
Post-Conference workshop:
Schrödinger Workshop: A beginners’ guide to Structure Based Design (Chemikum)