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Computational Chemistry Research Scientist

Genesis Therapeutics

Genesis Therapeutics

Burlingame, CA, USA
Posted on Tuesday, March 14, 2023
Genesis Therapeutics is bringing together a world-class computational team to build out the industry's fastest and most accurate small molecule property predictions, by combining the power of machine learning and molecular dynamics. We are looking for experts in small molecule free energy calculations to help develop our MD methods and accelerate our pipeline of first-in-class drug programs for previously undruggable protein targets.

You will

  • Work on MD scoring improvements such as force field development, solvation energy calculations, and QM/MM techniques, that will integrate with our sampling / simulation pipelines and ML models for absolute binding free energy prediction
  • Improve the accuracy of our ML/MD predictors on our multi-target potency benchmarks, consisting of hundreds of carefully curated potency datapoints and protein-ligand structures across many challenging, high-value protein targets from a diverse set of target classes
  • Utilize our cluster of 1,000s of GPUs and 10,000s of CPUs for massive experimentation, with an easy-to-use Python API that manages autoscaling, parallelization, and data pipelining behind the scenes
  • Work closely with our ML researchers, computational chemists, and medicinal chemists to validate and quickly deploy improvements to our ML/MD platform for our chemists' daily use on our internal drug programs and collaborations

You are

  • A PhD-level researcher with publications in the field of free energy calculation, preferably for proteins and/or small molecules
  • Proficient in statistical mechanics, with a solid understanding of the theoretical and practical trade-offs between various scoring and sampling methods, for the current state-of-the-art absolute and relative binding free energy calculation methods
  • A skilled programmer, preferably in Python, such that you can quickly implement your research ideas and analyze their performance across our benchmark suite

What we offer

  • The opportunity to work on challenging, high impact MD research that is immediately deployed to accelerate the discovery of new medicines
  • A world-class, tight-knit team of good-hearted people across software, machine learning, computational chemistry, medicinal chemistry, and biology
  • Competitive salary and equity. Medical, dental, and vision insurance, and a 401(k) program