Senior Computational Chemist/Computational Chemist

ComMed is seeking for a motivated talent with strong expertise in CADD (computer-aided drug design). You will interact with customers to understand their project requirements. Generate and analyze predictive results, and deliver results to our clients.


• Design, execute, and analyze computational chemistry experiments utilizing ligand-based and structure-based drug design strategies.
• Collaborate closely with structure biologists, medicinal chemists, and biologists to fulfill the drug discovery project goals. Monitor the progress of discovery programs and impact the programs by contributing scientific ideas and solving critical issues.
• Provide expert opinion from a computational point of view on target druggability, selectivity, and discovery strategy. Provide leadership in solving specific project/technical issues to team members.
• Communicate results, hypotheses, and suggestions in a clear manner in written and oral form.
• A commitment to excellence, including ensuring that fellow team members focus on high-quality science and a professional working environment.


• Ph.D. degree in computational chemistry, chemistry, or closely related discipline. The candidates from the top universities and colleges worldwide are preferred.
• Experience in Computer-Aided Drug Design: structure/ligand-based drug design, molecular docking, virtual screening, QSAR, pharmacophore modeling, PK/PD data analysis, and modeling. Expertise with docking software, such as Autodock, Dock3.7, or Glide.
•Strong written and communication skills in English. Good knowledge of Python, Perl, Bash, or related scripting languages.
•Ability to work with independence and drive in a startup environment.


• Experience with large scale virtual screening and docking sampling/scoring algorithm method development is highly preferred.
•The experience of 1-3 years in lead optimization at a pharmaceutical company is preferred.
•Experience with cloud computing environments (AWS).
•Experience with quantum mechanics/molecule mechanics techniques and approaches is a plus.
•Experience with Chinese or other language (except English) is preferred.

Compensation & benefits

• Competitive salary, commensurate with experience
• Stock compensation plan – you’ll be a ComMedX co-owner
• Platinum health, dental, and vision benefits
• Funding for professional development and conference attendance
• Flexible work schedule
• Rental allowance

If you are interested, please send your resume, brief research background introduction and contact information of two recommenders to