Director, Computational Chemistry

At Genesis Therapeutics, we are redefining drug discovery by integrating advanced AI with physics-based computational techniques. We are seeking an experienced and innovative Director of Computational Chemistry to lead our dynamic research team and shape our computational strategy. In this strategic role, you will drive the development and application of cutting-edge computational chemistry methods to design transformative therapeutics.

• Define and execute a comprehensive computational chemistry strategy that leverages both physics-based and AI-driven approaches to accelerate drug discovery.
• Collaborate with cross-functional teams—including medicinal chemists, biologists, and ML researchers—to integrate computational insights into the broader therapeutic development process.
• Play a pivotal role in shaping the future of small molecule therapies at Genesis Therapeutics.
• Design and execute state-of-the-art molecular dynamics simulations, enhanced sampling techniques, quantum chemistry calculations, and free energy calculations to improve ligand binding predictions and optimize molecular properties such as ADMET.
• Develop novel computational methodologies integrating physics and AI/ML to address complex challenges in drug discovery.
• Stay abreast of emerging computational techniques and incorporate innovative methods into our research workflows to maintain a competitive edge.
• Work closely with internal stakeholders to generate actionable insights that drive lead optimization and structure-based drug design.
• Effectively communicate scientific findings, strategic approaches, and progress updates to both technical and non-technical audiences, including leadership teams and external partners.
• Lead and grow a high-performing team of computational scientists by fostering a collaborative, innovative, and results-oriented work environment.
• Mentor team members and encourage professional development, ensuring continuous improvement and thought leadership within the field.

• Ph.D. in Computational or Theoretical Chemistry, Physics, or Biophysics, or a related field with a robust emphasis on computational method development.
• 8+ years of experience in computational chemistry within biotech, pharma, or related industries.
• Proven track record in leadership, with the ability to mentor scientists and drive cross-functional collaboration.
• Deep expertise in molecular dynamics simulations, enhanced sampling techniques, free energy calculations, and quantum chemistry methods.
• Strong background in method development, including algorithm design and implementation tailored for drug discovery.
• Proficiency with computational chemistry software (e.g., AMBER, GROMACS, OpenMM, Schrödinger, etc.).
• Strong programming skills in Python.
• Experience applying machine learning to molecular modeling challenges, such as generative models, deep learning for structure-based design, or AI-driven virtual screening.
• Exceptional problem-solving, analytical, and communication skills.
• Ability to thrive in a fast-paced, multidisciplinary environment.
• A passion for innovation and a commitment to advancing precision therapies through computational science.