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Associate Director/Computational Chemistry

Nonclinical Research and Development | Mountain View, CA | Full Time

Job Description

Job Description: Associate Director/Computational Chemistry

Do you want to grow a company that positively impacts the world? At twoXAR Pharmaceuticals, we discover and develop first-in-class small molecules. We are seeking a talented and highly motivated computational chemist with a strong background in Structure Based Drug Design to join our team. You will be an integral member of interdisciplinary drug discovery project teams, where you will apply virtual screening, computational chemistry, informatics, and data-mining methods to help drive lead optimization and candidate selection. This role will be involved in the design, execution, analysis, and interpretation of the computational outputs for the medicinal chemistry optimization. We have a broad pipeline of in-house programs in multiple therapeutic areas.

twoXAR is an AI-driven drug discovery and development company focused on first-in-class small molecules. The company currently has a development portfolio of over 18 diseases. twoXAR saves years in drug development while generating a 30x hit rate at in vivo efficacy milestones over traditional methods. We have established collaborations with leading biopharmaceutical companies and are now scaling the business and building our internal drug pipeline. twoXAR is venture-backed with financing from SoftBank Ventures and Andreessen Horowitz and has strong ties to Stanford University and MIT. Our management team and advisory board have decades of biopharmaceutical management experience, built software systems used by tens of millions of people, held VP and C-level positions at Fortune 100 companies, and have had previous startups with successful strategic acquisitions.


  • Represent Computational Chemistry as the subject matter expert for nonclinical research and development

  • As part of a Nonclinical R&D team of medicinal chemists, structural biologists, and discovery biologists, you will use state-of-the-art computational software, computer aided drug design and simulation techniques to help drive lead optimization and candidate selection

  • Participate in the management of and liaison with CROs conducting the computational chemistry efforts to support hit to lead, lead optimization, and IND-candidate selection

  • The successful candidate will independently pursue research projects, implement novel computational workflows and support a dynamic multi-disciplinary team focused on moving projects from the hit identification stage to the discovery of clinical candidate.

  • Responsible for the analysis, interpretation, integration and reporting of computational chemistry data generated with external vendors/CROs

  • Partner with and support medicinal chemistry team during lead optimization related activities such as docking and scoring of the molecules from rational drug design


  • Ph.D. in Chemistry, Biophysics, Chemical Biology (or related fields) with demonstrated computational chemistry focus in small molecule drug design with at least 10-12 years of industry experience

  • Established skills in computer aided drug design, knowledge of bioinformatics and structural biology is required

  • Practical working experience in computational chemistry software (e.g. Schrodinger, ICM Molsoft, OpenEye, Dotmatics, others) and cloud-based computing

  • Proven track record in one or more of the following: docking studies, virtual screening, druggability analysis, structure-based design for lead optimization, free energy perturbation, and molecular dynamics simulation

  • Excellent communication of design rationale, key experimental results, issues and accomplishments in appropriate verbal and written form 

  • Solid track record of scientific accomplishment demonstrated by publications, patents, or presentations 

  • Maintains excellent scientific expertise in the latest developments in computational chemistry

  • Good ability to manage own priorities and deliverables, both independently and in the team setting

  • Ability to work effectively in a highly interdisciplinary team

twoXAR is proud to be an Equal Opportunity Employer. All qualified applicants will receive consideration for employment without regard to race, color, religion, gender, gender identity or expression, sexual orientation, national origin, genetics, disability, age, or veteran status.