Associate Director / Director, Computational Chemistry

Well-funded biotech in SSF seeks a Computational Chemistry Director or Associate Director with experience in CADD- and structure-based design for lead optimization of small molecules to advance the pipeline of innovative therapeutics toward the clinic. Onsite in South San Francisco Monday through Friday (5 days/week)HighlightsReports to SVP, DiscoveryPotential to have one or more direct reportsTwo lead targets: CNS oncology + neurodegenerationFinancial runway forecasted through Spring 2027~25 full-time employeesResponsibilitiesProvide strategic leadership and hands-on execution of our CADD effortsCollaborate closely with chemists and biologists on virtual screening, hit identification and structure-based designGuide the optimization of drug candidates that induce protein degradationUse machine-learning (ML) to build in silica models to predict DMPK propertiesPerform and automate high throughput molecular dynamics simulations to predict protein function and protein-ligand bindingUtilize established tools and design new methods/toolsScientific programming as neededRequired Qualifications:PhD in Computational Chemistry or related discipline7+ years of relevant experience in drug discoveryComputer aided drug design (CADD) /structure- and ligand-based design for small moleculesDotmatics, Schrodinger, MOE, OpenEye, or Gaussian softwareQSAR, QSPR, and conformational analysisMolecular mechanics and dynamics simulationsPreferred Skills & Knowledge:Understanding of in vitro and in vivo DMPK principlesArtificial Intelligence/Machine Learning (AI/ML) approaches to predictive modelingQuantum mechanics methodsStatistical design of experiments (DoE)Multiparameter optimizationExperimental assay methods and technology for protein-ligand interactions Programming with languages such as perl, python, or C++ Cheminformatics / database algorithmsEmerging drug modalities such as covalent inhibitors, bifunctionals, molecular glues and/or PROTACs

Created: 2025-10-01