About
Role of MD in Drug Discovery
Location: Montelino (PG), Umbria, Italy
Organisers
This event is part of the MDDB project.
This workshop brings together experts and practitioners to explore the latest techniques and tools used to study biomolecular systems at the atomic level.
Through lectures and formal and informal discussions, participants will gain theoretical and practical insights into how MD simulations can support and accelerate the drug discovery process. Join us for an engaging experience that bridges fundamental theory with real-world pharmaceutical challenges.
The workshop discusses how the pharmacological target flexibility impacts computational prediction in drug discovery and, in particular, focuses on the development and application of MD-based methods to investigate allosteric modulation, residence time, binding free energy, etc.
References
Gabriele Cruciani (University of Perugia, Italy and Molecular Discovery Ltd, London, UK) - Organiser
Spain
Modesto Orozco (IRB Barcelona) - Organiser
Sweden
Erik Lindahl (Stockholm University) - Organiser
Switzerland
Andrea Cavalli (CECAM HQ) - Organiser