Scientific Software Developer - Affinity

About the role

The Affinity Group at OpenEye Scientific is seeking a scientific software developer to join a dynamic team delivering Molecular Dynamics (MD) based solutions for predicting protein-ligand binding affinities. This role leverages the Orion platform, which includes existing tools for relative binding free energy calculations and ongoing development of faster, higher throughput MD-based prescreening methods.

Responsibilities

• Develop and optimize MD-based algorithms for predicting protein-ligand binding affinities
• Collaborate with scientific developers and academic collaborators to advance the science of molecular dynamics
• Implement and validate computational chemistry methods within the Orion platform
• Work closely with the Orion team to integrate new MD-based prescreening approaches
• Contribute to the continuous improvement of the Orion platform's capabilities in molecular dynamics and free energy calculations

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

Qualifications

• 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

Skills

• Proficiency in Python and C++
• Experience with molecular dynamics software and tools
• Strong problem-solving and analytical skills
• Excellent communication and collaboration skills

Benefits

• Medical, dental, and vision insurance
• Flexible working schedule
• 401(k) retirement plan
• Paid vacation and sick leave
• Home internet costs reimbursement
• Public transportation reimbursement