Head of Computational Chemistry

Responsibilities

• Provide hands-on computational chemistry support to small-molecule discovery programs from target evaluation through candidate nomination
• Apply structure-based and ligand-based design approaches including docking, molecular dynamics, and FEP
• Partner with medicinal chemistry teams to interpret SAR and optimize potency, selectivity, and ADME/PK properties
• Build and maintain scalable cheminformatics and bioinformatics infrastructure for compound registration and SAR analysis
• Implement AI/ML-enabled molecular design tools such as generative chemistry and predictive ADME/Tox models
• Define the computational chemistry strategy and align it with the discovery portfolio

Requirements

• PhD in Computational Chemistry, Medicinal Chemistry, Chemical Physics, Biophysics, or related discipline
• Minimum of 15 years of relevant experience in pharma, biotech, or drug discovery research
• Proven track record of impacting small-molecule drug discovery programs
• Deep expertise in structure-based/ligand-based design, docking, and molecular dynamics
• Strong knowledge of medicinal chemistry principles and SAR interpretation
• Practical experience with cheminformatics platforms and chemical databases
• Experience with AI/ML applications in molecular design
• Proficiency in Python and cheminformatics toolkits like RDKit
• Ability to lead cross-functional teams and mentor scientists

Preferred Qualifications

• Experience building computational capabilities in a fast-moving biotech organization
• Familiarity with cloud-based or high-performance computing environments
• Experience with automated DMTA workflows and electronic lab notebooks
• Experience supporting multiple modalities like covalent inhibitors or molecular glues
• Strong external scientific reputation through publications or patents

Benefits

• Strong equity incentives
• Top tier medical, dental, and vision coverage plus One Medical membership
• 401(k) retirement plans
• Education and health/fitness incentive programs
• Meditation retreats (Vipassana)
• Reading budget

About the Company

General Proximity is a seed-stage startup developing the next generation of induced proximity medicines (IPMs) through its OmniTAC drug discovery engine.