Eikontherapeutics

Principal Scientist, Computational Chemistry

Millbrae, CA · Principal

Sponsorship not specifiedDetected 2 days ago

PythonMachine LearningPandasData AnalysisData ScienceProblem SolvingPublic Speaking

About the role

Eikon Therapeutics is a new biopharmaceutical company employing revolutionary technology at the intersection of chemistry, engineering, computation, and biology to discover novel treatments for life-threatening diseases.
The role involves protein modeling, AI co-folded structure/affinity predictions, binding site/ligand-ability assessment, homology-based chemistry mining, virtual screening and purchasable compound procurement.
As an integral member of our growing Drug Discovery team, you will make a real and direct impact on accelerating the drug discovery process and ultimately benefiting patients.

Deliver virtual screening workflows that leverage physics- and AI-based modeling methods involving ligand- and structure-based methods, ensemble docking, molecular dynamics, and free energy calculations
Provide computational chemistry program support across our drug discovery pipeline spanning target selection, HTS, hit identification/calling, hit to lead, and lead optimization
Provide guidance on the application of modern cheminformatics, ML/AI methods for library design (e.g. diversity, focused, fragment, DEL) and analyzing large datasets from HTS campaigns to building predictive models from them
Collaborate closely with our data science team to integrate cutting edge AI/ML tools into our chemistry and drug discovery processes

Expertise in virtual screening, HTS triaging, hit calling, and diversity analysis
Expertise in computational chemistry software, such as Schrödinger Suite, Rosetta, AlphaFold, Gromacs, or similar tools
Expertise with physics-based methods, molecular dynamics, conformational analysis, free energy perturbation, and quantum mechanics
Experience with ligand-based design approaches, QSAR, QSPR, multiparameter optimization to rationalize SAR and design novel molecules
A track record of publications, patents and/or conference presentations in computational chemistry and/or drug discovery
Excellent problem-solving abilities and the ability to work
You have a passion for drug discovery and thrive in a fast-paced, dynamic environment.
You are curious, love challenges, and enjoy pushing the edge of technology to solve important problems with creative solutions.
PhD in Computational Chemistry or related discipline with +10 years of relevant experience; or Master's plus 18 years of relevant experience; or Bachelor's plus 20 years of relevant experience
Expertise in cheminformatics data analysis, data mining and machine learning models to solve drug discovery problems
Proficient in scientific programming (e.g. python, KNIME) and data analytics (Spotfire, DataWarrior, Pandas)

or Master's plus 18 years of relevant experience
or Bachelor's plus 20 years of relevant experience
PhD in Computational Chemistry or related discipline with +10 years of relevant experience

This listing is sourced directly from Eikontherapeutics's careers page and normalized into a canonical job model.