Computational Biologist - Postdoctoral Researcher

NOTE: This is a two-year Postdoctoral appointment with the possibility of extension to a maximum of three years.

We have an opening for a highly motivated Postdoctoral Researcher to conduct research in protein engineering for biomaterials with expertise in molecular modeling and simulations of biological systems, multiscale molecular dynamics simulations, and extraction of protein function from dynamics. You will be an integral member of an interdisciplinary team working with computational chemists, and experimental chemists and biologists. You will be responsible for investigating the function, and change in function, for different designs of intrinsically disordered proteins (IDPs), and help design proteins to match desired material properties. You will present your work regularly and publish your research and findings, which includes occasional domestic travel. This position is in the Biochemical and Biophysical Systems group of the Biosciences and Biotechnology Division.

This position requires full-time on-site presence due to the nature of the work.

You will

• Conduct advanced independent research to investigate the function of different intrinsically disordered proteins (IDPs) and subsequent changes to those proteins.
• Perform and automate high throughput multiscale molecular dynamics simulations to predict protein properties and implementation of a computational frameworks for further protein design.
• Develop new analytics to analyze results from complex biology experiments and simulations.
• Work and collaborate with external partners (Universities, Industry, other National Laboratories) to advance computational biology simulation efforts.
• Prepare complex and detailed progress reports to support project needs and deadlines. Prepare complex written analyses and verbal briefings, and present research results to sponsors.
• Develop new and innovative research methods relevant to the needs of Laboratory programs and/or external funding agencies.
• Contribute to proposals and statements of work.
• Publish research results in peer-reviewed scientific or technical journals and present results at external conferences, seminars and/or technical meetings, which require travel.
• Perform other duties as assigned.

Qualifications

• Must be eligible to access the Laboratory in compliance with Section 3112 of the National Defense Authorization Act (NDAA). See Additional Information section below for details.
• PhD in computational biology, computational physics, computer science, or computational chemistry or equivalent combination of education and related experience.
• Knowledge and significant experience in protein function prediction, molecular dynamics simulations, multiscale simulations.
• Experience with simulation automation, high-throughput analysis, and function prediction of intrinsically disordered proteins (IDPs).
• Ability to work independently on defined research projects, as well as a member of a team with a diverse set of scientists, engineers, and other technical and administrative staff.
• Experience programming with Python, or C++, and expertise with the UNIX and high-performance computing environments.
• Ability to develop independent research projects as demonstrated through publication of peer-reviewed manuscripts.
• Ability to travel, as necessary, to interact with collaborators.

Qualifications We Desire

• Experience with CHARMM, Martini, and/or comparable force fields.
• Experience in machine learning.
• Experience in quantum mechanical calculation and hybrid quantum mechanics/ molecular mechanics (QM/MM) simulations.
• Experience in collaborating with experimental biologists.
• Experience in automated analysis and data visualization.