Principal Scientist - Computational Chemistry

94080, South San Francisco
Sep 21, 2018
Required Education
Position Type
Full time

Exciting opportunity to play an important role at ChemPartner, a leading Shanghai based Contract Research Organization specializing in drug discovery services. As more and more Pharma and Biotech companies look for alliance partners to increasingly provide intellectual contributions and exceptional technical expertise, ChemPartner is uniquely positioned to not only be a Life Science CRO, but to be a true pharmaceutical alliance partner. With a team of over 2000 experienced scientists, many western-trained pharmaceutical industry leaders, and experienced Pharmaceutical Executive Leadership at the helm, ChemPartner is aligned and dedicated to technically and strategically accomplish the research initiatives of Pharma and Biotech companies from around the world.

We are looking for an innovative computational chemist to work closely with our internal medicinal chemistry team and directly with clients/collaborators to advance therapeutic discovery programs. 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 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 but periodic trips to Shanghai, China will be required as well a travel within the United States to meet with clients/collaborators.


  • Work closely with multiple major international pharmaceutical and biotech companies on their drug discovery programs.
  • Responsible as an individual for providing computational chemistry support to SBDD or LBDD projects for clients working either alone in a consulting-like role or more usually as part of a larger team.
  • Provide some guidance and mentorship for the more junior computational chemistry team is Shanghai
  • Membership of the ChemPartner fragment based screening team providing support with library expansion, project execution, hit deconvolution and capability development
  • Contribute to a team charged with the identification of new small molecule technologies to bring into ChemPartner
  • For a successful and talented candidate there will be an opportunity to ultimately take a leadership role within the group and also act as a lead for the overall relationship with a particular client or academic partner.



  • Requires a broadly-trained computational chemist whose skills include:
  • The ability to interpret and communicate structural information to chemists and proactively suggest ideas for potency or selectivity improvement within the medchem design cycle.
  • Ability to work in the fragment-screening space and familiarity with software for automatic density identification and compound placement is a plus.
  • Industrial experience in driving lead identification and lead optimization using computational chemistry techniques.
  • Hands-on experience in one or more of the following areas: structure-based drug design including docking, homology modeling, molecular dynamics simulation, free energy calculation; 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, Gold, JChem, Vortex, 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
  • 6+ years or more of pharma 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 would be an advantage but not required.

Please send your resume to quoting reference number 18003 in the subject line