Vladas Oleinikovas
Director Of Computational Chemistry
Basel, Basel-City, Switzerland
Summary
👤
Senior🎓
Top SchoolVladas Oleinikovas is a curiosity-driven computational chemist and leader with 10 years of experience translating atomistic simulation, AI/ML, and structural biophysics into drug discovery programs. Currently Director of Computational Chemistry in Basel, he has led CADD teams and platform development for molecular glue degraders and targeted protein degradation, contributing to programs now in the clinic. His work spans novel enhanced-sampling methods (e.g., SWISH), protein-protein docking and ternary complex modeling, large-scale virtual screening pipelines, and prototype macrocycle technologies—bridging deep academic expertise from UCL and Cambridge with industrial impact at UCB and Monte Rosa. He pairs hands-on modelling and tool-building (Python/KNIME) with teaching and mentorship, and is known for finding cryptic pockets and creative computational routes to “destroy” disease-causing proteins.
10 years of coding experience
9 years of employment as a software developer
Master of Science - MS Chemistry, Master of Science - MS Chemistry at University of CambridgeBrandos Atestatas High School/Secondary Diplomas and Certificates, Brandos Atestatas High School/Secondary Diplomas and Certificates at Kaunas University of Technology GymnasiumUniversity College London
Lithuanian, English, French, Russian, German
Github Skills (53)
minecraft10
python10
rdkit10
plugin10
cheminformatics10
swish9
topology8
molecule8
simulator7
simulation7
chemistry6
pdb-files6
pdb6
physics6
simulations6
Programming languages (6)
Github contributions (5)
OleinikovasV/CrypticSWISH
Jul 2017 - Feb 2020
Scripts that are helpful to setup SWISH simulations (documentation under development, use with caution)
Contributions:27 commits, 18 pushes, 1 branch in 2 years 7 months
swishsimulationssimulationhelpfulunder-development
OleinikovasV/rdkit
Apr 2023 - Dec 2024
The official sources for the RDKit library
Contributions:2 pushes, 1 branch in 1 year 8 months
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