Scientific Software Developer - Affinity

Cadence Systems•Boston, NM

About The Position

The Affinity Group at OpenEye seeks to hire a scientific software developer to join a growing team delivering Molecular Dynamics (MD) based solutions for predicting protein-ligand binding affinities. Within OpenEye’s Cloud-based platform Orion, our team has already delivered to our clients massively parallel Relative Binding Free Energy (RBFE) tools capable of calculating affinities on dozens of ligands in only hours, using hundreds of GPUs. We are also developing faster, higher throughput MD-based prescreening approaches to use upstream of the heavier free energy methods. With your experience in MD and programming, you will help us to extend our capabilities in this area, making both our science and our tools better: more robust, more accurate, and more efficient. The work you do will have a high impact, contributing to the science of many organizations, both industry-based and academic. In this you will be collaborating with experienced scientific developers with expertise in small molecule drug discovery and long track records of delivering useful solutions and liaising with academic collaborators in the simulations community. Please include a cover letter.

Requirements

PhD. with PostDoc in an area related to structure-based ligand design methods.
3 or more years of experience in scientific programming with Python.
3 or more years of experience with Molecular Dynamics including Free Energy Calculations.
Experience in computational chemistry methods development, implementation, and validation.
Team-oriented with good communication skills and professional scientific presentation skills.
Ability and desire to learn new ideas and adapt to new development practices.

Nice To Haves

Knowledge & skill in programming and professional software development practices & tools.
Experience with a multi platform and/or distributed computing environment including cloud computing.
Knowledge of chemistry and/or drug discovery & development.

Responsibilities

Extend capabilities in Molecular Dynamics (MD) based solutions for predicting protein-ligand binding affinities.
Develop faster, higher throughput MD-based prescreening approaches.
Collaborate with experienced scientific developers in small molecule drug discovery.
Liaise with academic collaborators in the simulations community.
Make science and tools better: more robust, more accurate, and more efficient.