Senior Research Scientist Molecular Design

Overview Lead Computational Chemist

We are seeking a highly skilled computational chemist to lead our molecular design projects. This is an exciting opportunity to join a team focused on driving innovation in the field of drug discovery.

Molecular Design Project Lead

Responsibilities Develop and execute computational workflows to improve work efficiency and advance discovery programs.

Collaborate with cross-functional teams to apply structure-based drug design techniques, including molecular docking, molecular dynamics simulations, free energy calculations, protein-protein interactions, and virtual screening.

Familiarity with identifying hit compounds from large chemical libraries using ligand and structure-based approaches within hit identification.

Requirements A PhD in Computational Chemistry or related field with industry experience in the pharmaceutical industry.

A proven track record in molecular design projects that progressed to experimental validation.

Familiarity with protein structure and ligand datasets (PDB, ChEMBL, PubChem, Zinc, Enamine, etc.).

Expertise in molecular modeling, including protein-ligand docking, molecular dynamics simulations, and free energy calculations.

Proficiency with computational chemistry software (AutoDock Vina / Smina, Rosetta, OpenMM, GROMACS, RDKit, PyMOL, etc.).

Experience in writing and implementing Python scripts, or utilizing pipelining tools (pandas, scikit-learn).

Nice to Have Experience with AI / ML applications in molecular design or cheminformatics.

Familiarity with cloud computing platforms for computational chemistry workflows.

Proven contributions to industry R&D through publications or research grants.

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