Ensem Therapeutics is seeking an experienced and innovative Computational Chemist to join Ensem Therapeutics. The successful candidate will execute Ensem's strategy of speeding up drug discovery by computational sciences and AI technologies. As a technical leader, you will contribute to build our unique discovery engine that integrate unprecedently detailed experimental data of protein dynamics with sophisticated computer simulation and modeling technologies. To be the lead computational chemist, you will work with medicinal chemists, structural biophysicists, biologists, and pharmacologists, to develop Ensem’s product pipeline and deliver innovative drugs to the patients.

· Lead design teams for internal projects and work with chemistry leads to prioritize compounds for synthesis.
· Work with computational scientists, structural biologists, and synthetic chemists to interpret structural/simulation data and proactively suggest new design ideas.
· As an independent contributor, influence design teams, projects and organizational scientific strategy through interaction with the leadership and management teams.
· Collaborate with the computational development team to align priorities between application development and project priorities.
· Work to establish and uphold the internal chemistry and design strategy across projects by reinforcing best practices, and providing training and mentorship across the organization.
· Work closely with chemistry, biology teams and external collaborators to set work priority.
· Carry out computation/simulation studies to solve critical problems in drug discovery, such as drugging strategy for new targets and improvement of drug properties.
· Refine and develop existing computational methods to improve accuracy and reliability of theoretical predictions.
· Write scripts and workflows to streamline simulation projects.
· Investigate the latest trends in simulation and scientific methods.
· Teach other members of the team to access and use the computational technologies.
· Possibility of supervising an associated scientist.
· Performs other related duties as assigned.

· PhD in computational chemistry or biophysics. 10+ years of Biotech and Pharmaceutical industry experience working in Computer-Aided Drug Design. Broad expertise in state-of-the-art biomolecular modeling and simulation technologies.
· Stronger communicators between computational sciences and medicinal chemists, structural biologists and Biologists, provides insights from computational simulations and modeling to address pressing challenges in drug discovery and optimization.
· Highly motivated to develop computational methods and software for discovering better medicines.
· Deep experience in developing and applying force-field based methods, particularly Molecular Dynamics. Familiarity with common MD methods such as NAMD, CHARMM, AMBER, and GROMACS.
· In-depth & current knowledge of multi-level simulation technologies, such as ENM, ANM and ClusENMD.
· In-depth & current knowledge of modeling and sampling methods such Rosetta.
· Excellent programming skills with Python and C/C++.
· Experiences in parallel programming and GPU-based computation are highly desired.
· Excellent communication, presentation, and inter-personal skills and good team player.
· Peer-reviewed publications in relevant areas and demonstrated success in overcoming challenging problems.