Meiler Lab Computational Chemical and Structural Biology |
Login
|
Davide Sala
Current Post-Doctoral Fellow
PhD in Structural Biology, University of Florence - CERM, Italy
davide.sala [ at ] uni-leipzig.de
Project Description:
My research focuses on computational methods to investigate structure and dynamics of membrane proteins. In particular, I’m developing a new protocol in the Rosetta software suite that leverages on experimental data coming from multiple sources (EPR, NMR, FRET, MS and others) to predict new protein conformations. The concept of using sparse or noisy experimental constraints in advanced modeling methods is particularly relevant for proteins that exert their function switching through multiple heterogenous conformations, like transporters and GPCRs. Currently, I’m also investigating the activation mechanism of adhesion GPCRs by molecular dynamics (MD), and the Protease-activated receptor-1 (PAR1) involved in thrombus formation through a combination of protein-protein docking, MD and small-molecule docking.
Publication Link:
https://scholar.google.com/citations?user=M2Hs-tUAAAAJ&hl=it