Davide Sala Email & Phone Number

Switzerland

Milano, Lombardia, Italia

I primarily work with small molecules in the Medicinal Chemistry unit, applying structure- and ligand-based methods for hit identification and lead optimization. My workflows integrate a blend of machine learning and physics-based methods, including structure prediction, virtual screening, SAR, clustering, analog searches, property prediction, transfer learning, and multi-objective optimization (MOO). I am also involved in biological and chemical data management

Leipzig (Landkreis), Saxony, Germany

Rosetta and ML-based methods development for the prediction of proteins structure and dynamics.• Implementation and benchmark of a new C++ method in Rosetta, a software suite with tens of thousands of users and a large community of Git-coordinated developers.• AlphaFold customization for the prediction of conformational ensemble of proteins.• Combining AlphaFold and Rosetta for modeling challenging targets as GPCRs.• Implementation of computational pipelines for conformation-based hit discovery.

Firenze, Italia

PhD thesis on "Application of molecular dynamics to the understanding of metal-binding macromolecules and their adducts".• Investigation of solution and membrane metalloproteins with MD methods.• Applied integrative structural biology approaches with NMR data for the characterization of proteins structure and dynamics.• Development of GRID/CLOUD workflows for MD simulations and data analysis

Segrate, Milano

Role: Biocomputational studies, development of protocols for virtual screening andmolecular dynamics.Project: Development of novel methodologies for the identification of CFTR-targeted drugs, a multidisciplinary approach using real time surface plasmon resonance interaction assay supported by bioinformatic strategies on hpc infrastructures

Education record

Doctor Of Philosophy - Phd

PhD in Structural Biology

Laurea Magistrale In Biotecnologie Industriali, Dipartimento Di Biotecnologie E Bioscienze

Laurea In Biotecnologie Farmaceutiche, Facoltà Di Farmacia