Scientific Software Developer - Affinity (OE R43349)

OpenEye, Cadence Molecular Sciences, an industry leader in computational molecular design, uses a scientific approach to deliver rapid, robust, and scalable software, toolkits, and technology & design services for the advancement of pharmaceuticals, biologics, agrochemicals, and flavors & fragrances. We are passionate about science and about taking care of our team members, with leaders supporting your development and recognizing your contributions by providing an unmatched total compensation package in a collaborative, caring, energetic and fun work environment.

Over the last eight years, OpenEye has developed the field's most advanced large-scale computer platform, Orion, built on Amazon Web Services. In this position, you will be working at the cutting edge of cloud computing, Python/C development, and advanced MD simulation techniques to investigate the mechanistic details of passive membrane permeability of drug-like molecules. Your work will have the potential to make a major impact in drug discovery research and will likely be used by many pharmaceutical and biotech companies around the world.

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.

What you should have:

• 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.

The following are a PLUS, but not required:

• 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