Structural Biologist

Work closely with a multidisciplinary team of ML scientists, computational chemists,medicinal chemists, and structural biologists to develop, evaluate and implement novelmethods in the computational biology of proteins.
- Refine existing algorithms for Alchemical Free Energy calculation, prepare data, and use cases to benchmark the algorithms. Set up and analyze computational experiments

**Requirements**:

- Background in Computational Chemistry, Structural Biology, Biophysics, or related field
- Familiarity or expertise with biomolecular free energy calculations, including but not limited to Alchemical Free Energy calculations, NEQ-switching, Metadynamics, Expanded ensemble calculations
- Experience with biomolecular simulation software and algorithms implemented in OpenMM, Gromacs, Amber, Plumed, MOE
- Hands-on experience contributing to a software project with two or more developers or an appropriate demonstration of the ability to work collaboratively
- Excellent written and oral English communication skills
- Ability to write maintainable code in Python. Experience in C/C++ is desirable but not essential
- Scientific presentation skills, familiarity with data visualization tools and libraries: PyMol, ChimeraX, VMD, Plotly, Matplotlib

**Desirable skills**
- Acquaintance with trends in computational chemistry and molecular simulations
- Experience with Version Control Systems and knowledge of best VC practices in git, GitLab
- Experience with chemoinformatics and CADD
- Familiarity with practices for unit testing, continuous integration, and software documentation
- Ability to learn new tools and libraries fast