Charlie Laughton
Professor Of Computational Pharmaceutical Science
England, United Kingdom
Summary
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Senior🎓
Top SchoolCharlie Laughton is a Professor of Computational Pharmaceutical Science with over 30 years of expertise in computational modelling, informatics, and drug discovery, currently leading research and teaching at the University of Nottingham. He specialises in developing software tools for data analysis, validation, and scalable high-throughput/high-performance computing workflows that bridge biomolecular science and practical drug development. His career progressed from molecular modelling leadership at The Institute of Cancer Research to senior academic roles, reflecting deep domain knowledge in molecular recognition and drug design. Charlie also applies his data science expertise in industry through DAMSL Ltd, offering training and consultancy that translate academic methods into business-ready products. Trained at the University of Oxford (DPhil, MA, BA in Chemistry), he combines rigorous chemistry foundations with decades of computational practice, often focusing on reproducibility and validation—an underappreciated keystone of his tool development work.
11 years of coding experience
16 years of employment as a software developer
DPhil and MA, Organic Chemistry, DPhil and MA, Organic Chemistry at University of Oxford
Github Skills (53)
pdb-files10
pdb10
python9
dynamics9
science8
xyz8
chemistry8
simulations8
simulation8
molecular-simulation8
pydata7
pymol7
molecule7
deviation7
computational-chemistry7
Programming languages (5)
Github contributions (5)
CCPBioSim/md-workshop
Apr 2018 - May 2019
Workshop that teaches how to set up and analyse molecular dynamics simulations
Contributions:17 commits, 1 PR, 16 pushes in 1 year 1 month
molecular-dynamics-simulationsmolecular-dynamicsworkshopsimulationssimulation
CharlieLaughton/mdtraj
Sep 2017 - Jun 2024
A modern, open library for the analysis of molecular dynamics trajectories
Contributions:2 PRs, 24 pushes, 15 branches in 6 years 10 months
pythonmolecular-dynamicsmolecular-dynamics-trajectoriessimulationmolecular
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