Senior Scientist, Computational Chemistry

Full-time - Senior

San Diego, CA

Chemical Manufacturing

About the position

We are looking for a skilled and motivated Scientist with expertise in Computational Chemistry to join our team and contribute to Neomorph's small molecule drug discovery programs. As a member of a multidisciplinary team that includes leaders in the field of targeted protein degradation, the successful candidate will apply both structure-based and ligand-based computational chemistry methods to enhance small molecule design. This role involves active participation in target selection, advancing chemical series from hits to lead, optimizing leads, and selecting drug candidates. Additionally, the candidate will explore new dimensions within this exciting field and contribute significantly to the development of Neomorph's computational chemistry platform. This individual will have the opportunity to work at a company with a robust biophysics platform that is fully committed to leveraging computational chemistry to advance drug discovery projects from target identification to lead optimization and beyond. With access to cutting-edge CADD software and hardware, the Senior Scientist will make a direct and meaningful impact on the drug discovery process, ultimately improving patient outcomes.

Responsibilities

• Work as a key member of the multidisciplinary team of medicinal chemistry, structure biology, biochemistry, and biology and guide the team by providing computational expertise in structure-based drug design and other methods.
• Building and applying suitable hypotheses to design compounds aimed at improving potency, target selectivity, physicochemical and/or pharmacokinetic properties, as evidenced by project impact.
• Develop, optimize and deploy novel computational methods and workflows to improve productivity.
• Apply molecular dynamics to simulate protein flexibility to allow high-accuracy prediction of binding site, binding mode, and binding kinetics of small molecules.
• Design compounds and predict their potency and ADMET using cutting-edge computational chemistry methods, including physics/ML based activity prediction.
• Drive structure/ligand virtual screening and generative AI methodologies for effective hit identification and hit-to-lead.
• Investigate, explore, and implement state-of-the-art computational chemistry methods that potentially accelerate discovery of molecular glue.

Requirements

• PhD in Computational Chemistry, or related field with 5+ years, MS with 8+ years or BS with 11+ years of relevant experience.
• At least 5 years of experience working as a computational chemist in the pharmaceutical/biotech industry (will consider relevant post-doctoral work).
• Expertise in structure-based design, and ligand-based design with a solid background in physical chemistry, and knowledge of medicinal chemistry principles.
• Proven track record of drug design with significant impact on drug discovery projects.
• Team oriented and highly collaborative with a hands-on approach; take ownership of projects and advance them with a strong sense of urgency in a fast-paced environment.
• Strong interpersonal, communication, influencing and problem-solving skills and presentation skills at all levels both internally and externally.
• Experience in physics-based activity prediction methods, including MM-GB/PBSA, FEP, and TI.
• Familiarity with commercial computational chemistry suites. The Schrodinger and OpenEye suites are preferred.
• Proficiency in scientific programming skills (e.g. Python, R) is essential.

Nice-to-haves

• Knowledge and experience of Cloud Computing is plus.
• Expertise in protein-protein docking tools is plus.
• Knowledge and experience working with Protein-Protein Interaction targets.
• Familiarity with quantum mechanics, cheminformatics, bioinformatics.
• Experience in application of MD packages (AMBER, GROMACS, OPENMM) to analyze protein-ligand or protein-protein interaction and to estimate ligand affinity is preferred.

Benefits

• Industry competitive compensation
• Annual target bonus
• Stock options
• 401K plan
• Career advancement opportunities
• Monthly town halls to share business and scientific updates
• Comprehensive medical, dental, and vision plans for employees and their dependents
• Health and Dependent Care FSA and HSA Plan with monthly Neomorph contribution
• Employee Assistance Program
• 10 holidays + Winter Shutdown + 3 weeks of vacation time with additional accruals after 2nd year of employment, separate sick leave.
• Supplemental pay for Pregnancy Disability Leave
• Paid Parental Leave for employees with a newborn child or a child placed with them for adoption or foster care
• Casual work environment
• Volunteer days off each year to spend time contributing to causes you care about
• Flexible work schedule
• Access to onsite gym
• Onsite space to store your bicycle (or surfboard)
• Regular company-wide and department lunches and social events (ie Padres games, summer picnic, holiday party, bring your kids to work day)