Senior Molecular Design Specialist

Unleash the Power of Computational Chemistry

Ideal for a talented individual at the forefront of computational chemistry, artificial intelligence, and drug discovery, this exceptional opportunity presents an unparalleled chance to shape the future of molecular design.

Responsibilities Lead molecular design projects utilizing cutting-edge computational chemistry approaches and AI / ML tools to drive innovation in the field.

Apply structure-based drug design techniques, encompassing molecular docking, molecular dynamics simulations, free energy calculations, protein-protein interactions, and virtual screening to discover novel compounds.

Identify hit compounds from large chemical libraries using ligand- and structure-based approaches within hit identification to accelerate discovery programs.

Collaborate with cross-functional teams of AI / ML scientists, medicinal chemists to advance discovery programs and foster a culture of collaboration.

Develop computational workflows and predictive models to enhance work efficiency, streamline processes, and improve outcomes.

Required Skills and Qualifications PhD in Computational Chemistry or a related field with industry experience in the pharmaceutical sector.

Proven track record in molecular design projects that progressed to experimental validation, demonstrating expertise in designing and implementing computational solutions.

Familiarity with protein structure and ligand datasets (PDB, PINDER, PLINDER, ChEMBL, PubChem, Zinc, Enamine, Wuxi, etc.) to leverage existing knowledge and expertise.

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

Proficiency with computational chemistry software (AutoDock Vina / Smina, Rosetta, OpenMM, GROMACS, RDKit, PyMOL, etc.) to execute complex computations and visualize results.

Experience in writing and implementing Python scripts or utilizing pipelining tools (pandas, scikit-learn) to streamline workflows and automate tasks.

Benefits The opportunity to work at the nexus of computational chemistry, artificial intelligence, and drug discovery, driving innovation and shaping the future of molecular design.

A collaborative environment with cross-functional teams of AI / ML scientists, medicinal chemists, fostering a culture of collaboration and knowledge sharing.

Professional development opportunities, including training and mentorship, to enhance skills and expertise.

Others Experience working with cloud computing platforms (GCP, AWS) for computational chemistry workflows to leverage scalability and flexibility.

Proven contributions to industry R&D through publications or research grants, showcasing expertise and impact.

#J-18808-Ljbffr