Structural Biologist

Job Description

<p><strong>About Insilico&nbsp;</strong></p><p><br></p><p>Insilico Medicine is an end-to-end, artificial intelligence (AI) -driven pharma- biotechnology company with a mission to accelerate drug discovery and development by leveraging our rapidly evolving, proprietary platform across biology, chemistry, and clinical development.&nbsp;</p><p><br></p><p>For more info, visit our&nbsp;website&nbsp;https://insilico.com</p><p><br></p><p><strong>Place of work</strong></p><p><br></p><p><span>Level 6, Unit 08, Block A, IRENA HQ Building Masdar City, Abu Dhabi United Arab Emirates</span></p><p><br></p><p><strong>Reports to</strong></p><p><br></p><p>Head of Computational Chemistry</p><p><br></p><p><strong>The candidate will</strong></p><ul><li>Work closely with a multidisciplinary team of ML scientists, computational chemists, medicinal chemists, and structural biologists to develop, evaluate and implement novel methods in the computational biology of proteins.</li><li>Contribute to drug discovery projects by applying state-of-the-art SBDD techniques and performing exploratory and large-scale Molecular Dynamics simulations.</li><li>Refine existing algorithms for Alchemical Free Energy calculation, prepare data, and use cases to benchmark the algorithms. Set up and analyze computational experiments.</li></ul><p><br></p><p><strong>Requirements</strong></p><ul><li>Background in Computational Chemistry, Structural Biology, Biophysics, or related field</li><li>Familiarity or expertise with biomolecular free energy calculations, including but not limited to Alchemical Free Energy calculations, NEQ-switching, Metadynamics, Expanded ensemble calculations</li><li>Experience with biomolecular simulation software and algorithms implemented in OpenMM, Gromacs, Amber, Plumed, MOE</li><li>Hands-on experience contributing to a software project with two or more developers or an appropriate demonstration of the ability to work collaboratively</li><li>Excellent written and oral English communication skills</li><li>Ability to write maintainable code in Python. Experience in C/C++ is desirable but not essential</li><li>Scientific presentation skills, familiarity with data visualization tools and libraries: PyMol, ChimeraX, VMD, Plotly, Matplotlib</li></ul><p><br></p><p><strong>Desirable skills</strong></p><ul><li>Acquaintance with trends in computational chemistry and molecular simulations</li><li>Experience with Version Control Systems and knowledge of best VC practices in git, GitLab</li><li>Background in ML/DL and application to biological and structural data</li><li>Experience with chemoinformatics and CADD</li><li>Familiarity with practices for unit testing, continuous integration, and software documentation</li><li>Ability to learn new tools and libraries fast</li></ul><p><br></p>