[Seminar] Molecular dynamics à la carte: from small molecules to drug discovery
| When |
03 Jun, 2019
from
03:00 pm to 04:30 pm |
|---|---|
| Where | Room 2.13 |
| Contact Name | Cláudio M. Soares |
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Title: Molecular dynamics à la carte: from small molecules to drug discovery
Speaker: Dr. Francesco Colizzi
Affiliation: Institute for Research in Biomedicine, Barcelona, Spain
Abstract: During the seminar I will present, in a very general way, some recent applications of molecular dynamics (MD) simulations to study the conformational "universe" of small molecules and to characterize ligand-protein binding for fragment-based drug discovery. The versatility of MD simulations and their complementarity with experiments will be highlighted.
