About the job
About Genesis Molecular AI
Genesis Molecular AI integrates advanced molecular machine learning with fundamental physics to uncover innovative small molecule therapies for critical diseases. Our state-of-the-art molecular AI platform, GEMS, employs generative models alongside high-throughput molecular simulations to efficiently explore chemical space and prioritize compounds with unmatched precision and speed.
About Our Team
We have assembled a premier computational team that collaborates with machine learning researchers, medicinal chemists, and biologists to transform our computational models into viable drug candidates for both our internal pipeline and pharmaceutical partners.
You will be a part of a team guided by seasoned drug discovery experts and method developers specializing in statistical mechanics, free energy methods, and computer-aided drug design.
About the Role
We are seeking a binding free energy expert who possesses a robust understanding of the theoretical aspects necessary for proposing new methodologies, as well as the coding skills required to implement them. This role involves advancing free energy methods within our platform and overseeing their application.
You will serve as a critical resource for our teams in need of physics-based evaluations of tightly binding compounds, particularly in potency ranges where existing models may falter. Your contributions will directly influence our compound selections, the progression of potential candidates, and the speed at which we identify optimal molecules for patient care.
This position requires active engagement, an individual who enjoys the intricacies of coding and tool development to empower project teams.
Responsibilities:
- Oversee the binding free energy function:
- Manage small molecule binding free energy calculations that inform project decision-making.
- Establish and refine best practice protocols across various programs, adapting them as the platform evolves.
- Optimize and advance existing methodologies:
- Build upon current methods and code bases, including Free Energy Perturbation (FEP), Thermodynamic Integration (TI), and related alchemical/free energy workflows.
