Davide Branduardi
Director at Astex Pharmaceuticals
Cambridge, England, United Kingdom
Summary
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Senior🎓
Top SchoolDavide Branduardi is a director and computational chemist with 14 years of experience leading drug discovery efforts at the interface of statistical mechanics, molecular dynamics and protein engineering. He combines hands-on programming and automation skills with deep domain expertise in free energy methods and enhanced sampling, having contributed core C++ code to the widely used PLUMED2 library. Across roles at Astex, Schrödinger and top research institutes, he has translated advanced simulation techniques into practical workflows for hit discovery and lead optimization. Based in Cambridge, he is as comfortable writing Python scripts and FEP integrations as he is designing QM/MM and MD studies, and he brings a research-first mindset to applied pharmaceutical problems. An uncommon strength is his blend of academic rigor—PhD-level statistical mechanics and postdoc work on allostery—with product-focused delivery in industry.
14 years of coding experience
6 years of employment as a software developer
Maturita' Scientifica, Maturita' Scientifica at Liceo Scientifico Marie Curie, MedaMaster Materials Science (Theoretical), Master Materials Science (Theoretical) at Università degli Studi di Milano-Bicocca
English
Github Skills (8)
algorithms10
c-language10
cpp10
molecular-dynamics-simulation10
cprogramming-language10
molecular-simulation10
cplus10
nonlinear-dynamics10
Programming languages (2)
Github contributions (5)
plumed/plumed2
Dec 2011 - May 2015
Development version of plumed 2
Role in this project:
Back-end Developer
Back-end DeveloperContributions:168 commits, 9 pushes, 5 branches in 3 years 5 months
Contributions summary:Davide is actively involved in the development and maintenance of the PLUMED2 library, specifically focusing on core features and improvements. Their commits include the initial implementation of Kearsley-related functionalities, indicating the development of algorithms for molecular dynamics, and tests. Their work often involves modifications to core header files (e.g., Plumed.h) and source code files related to the Kearsley algorithm, indicating the user's proficiency in C++ and their contributions to the core functionalities of the library.
minecraftmolecular-dynamicsc-plus-plusfree-energyplugin
davidebr/pathoptimizer
Feb 2015 - Jun 2015
Contributions:26 commits, 25 pushes in 3 months
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