Senior Scientist, Computational Chemistry

Job Description

We are looking for an experienced and innovative computational chemist to implement CADD tools that advance therapeutic discovery programs for our research partners. The successful candidate must have the drive and enthusiasm to act as an individual contributor or project leader for a number of projects simultaneously. He/She/They must also often act as the face of ChemPartner to multiple international clients and be able to interact across disciplines and demonstrate technical prowess.

The position will be based at ChemPartner’s South San Francisco facility optimally but we will consider strong candidates who can work effectively from a remote home office. Occasional trips to Shanghai, China may be necessary as well a travel within the United States to meet with clients/collaborators.

Roles and Responsibilities

  • Provide computational chemistry support to SBDD or LBDD projects for clients primarily as part of a larger team or working individually to provide expert computational consultation.
  • Work closely with multiple major international biotechs, pharmaceutical companies, and academic institutions their drug discovery programs.
  • Independently plan, manage and perform research to support projects.
  • Contribute to a team charged with the identification of new drug discovery technologies to bring into ChemPartner.
  • Investigate and promote novel computational methods such as AI and machine learning for clients’ efforts to accelerate certain stages of drug development.
  • Participate in efforts with Business Development to bring in new business by promoting ChemPartner’s computational technololgies and expertise.
  • For a successful and talented candidate, there will be opportunities for leadership within the team on scientific initiatives, programs, and for the overall relationship with certain clients and academic partners.


  • Requires a broadly-trained computational chemist whose skills include:
    • Industrial experience in driving lead identification and lead optimization using computational chemistry techniques.
    • The ability to interpret and communicate structural information to medicinal chemists and proactively suggest ideas for potency or selectivity improvement within the medchem design cycle.
    • Hands-on experience in the following areas: structure-based drug design including docking, homology modeling, molecular dynamics simulation, free energy perturbation; ligand-based drug design including pharmacophore modeling, QSAR, 3D-QSAR, pharmacophore- or shape-based database searching, combinatorial library design, target focused library construction, R-group decomposition, pairwise matching, cliff analysis.
    • Familiarity with state-of-the-art modeling and cheminformatics tools such as Maestro, MOE, JChem, Vortex, PyMOL, Spotfire, Knime, and Bioluminate.
  • Ph.D. and post-doctoral experience as well as a track record of technical excellence as shown by peer reviewed publications and inventorship status on patents.
  • 4 years or more of pharma/biotech experience with a focus on computational chemistry.
  • Must be a team player with strong project leadership skills and a demonstrated ability to deliver results.
  • Must understand the goals of project teams, timelines and deliverables and help ensure that resourcing is on-track to meet these goals.
  • Strong communication skills with the ability to effectively describe results and ideas to clients who may be based all over the world.
  • The ability to communicate in Mandarin is advantageous but is not required.


Please send resumes and inquiries to

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1F & 3F, Block A
2829 JinKe Road
Zhangjiang Hi-Tech Park
PuDong New Area
Shanghai China, 201203


Contact Us

China: +86 21 5132 0088
US: +1 650 419 9974
Europe: +45 4586 9000
Japan: +81 03 5403 6975