Head of Computational Chemistry, Protein Crystallography and New Technologies

94080, South San Francisco
May 16, 2018
Required Education
Position Type
Full time

Exciting opportunity to play a leadership role at ChemPartner, a leading Shanghai based Contract Research Organization specializing in drug discovery services.

We are looking for an outstanding experienced leader to lead the computational chemistry and structural biology groups and to also take the lead in scouting out new small molecule focused technologies The successful candidate must have a dynamic personality with the drive and enthusiasm to lead a number of projects simultaneously. He/She must also be a face of ChemPartner to multiple international clients and be able to interact across disciplines and demonstrate technical prowess. He/She will also have the business acumen and initiative to identify, evaluate and pursue meaningful new technologies that would fit into ChemPartner’s broad portfolio of services.


•             Work closely with multiple major international pharmaceutical and biotech companies on their drug discovery programs.

•             Responsible for coordinating the work of a group of up to 5 computational chemists (based in both San Francisco and Shanghai) and up to10 structural biology department scientists (based in Shanghai)

•             Responsible as an individual for providing computational chemistry support to SBDD projects for clients

•             Responsible for budgeting for the group and ensuring financial goals are aligned with those of the broader organization

•             Must understand the goals of project teams, timelines and deliverables and ensure that resourcing is on-track to meet these goals.

•             Responsible for identifying and suggesting new technology additions to senior management and if chosen working with broader teams to bring them into the company. This could be using a ‘build from scratch’ approach or by strategic partnership.


•             Requires a broadly-experienced computational chemist whose skills include:

o             The ability to interpret and communicate structural information to chemists and proactively suggest ideas for potency or selectivity improvement within the medchem design cycle.

o             Ability to work in the fragment-screening space and familiarity with software for automatic density identification and compound placement is a plus.

o             Industrial experience in driving lead identification and lead optimization using computational chemistry techniques.

o             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

o             Familiarity with state-of-the-art modeling and cheminformatics tools such as Maestro, MOE, Gold, JChem, Vortex, Spotfire, Knime, and Bioluminate

o             Some experience in business development would be an advantage

•             Ph.D. with a track record of technical excellence as shown by peer reviewed publications and inventorship status on patents

•             8-10 years or more of pharma experience with a focus on computational chemistry; having experience either working with or leading a structural biology group will be an advantage.

•             Familiarity with  techniques and hardware/software relevant to designing protein constructs for crystallization, obtaining crystals and solving protein and protein-ligand complex structures.

•             Must be a team player with strong leadership skills

•             Strong communication skills with the ability to effectively describe results and ideas to domestic and international clients  

Please send your resume to CP-sanfrancisco@chempartner.com quoting reference number 18001B in the subject line.