Science and Technology on a Mission!
For more than 60 years, the Lawrence Livermore National Laboratory (LLNL) has applied science and technology to make the world a safer place.

We have an opening for a highly motivated Staff Scientist to conduct research in drug design and development, specifically with expertise in molecular modeling and simulations of biological systems and quantum mechanical calculations for cheminformatics. You will be an integral member of an interdisciplinary team working with pharmaceutical and biotechnology companies. You will be responsible for searching for hit compounds, optimizing lead compounds, and predicting useful properties of the small molecules of interest. You will work with a team of computational biologists, chemists, and experimental biologist to enable innovative solutions toward delivering an efficacious Investigative New Drug entity. This position is in the Biochemical and Biophysical Systems group of the Biosciences and Biotechnology Division.

In this role you will

Conduct advanced independent research to predict small molecule binding to proteins and drug design.
Perform and automate high throughput molecular dynamics simulations to predict protein function.
Develop new analytics to analyze results from complex biology experiments and simulations.
Develop collaborations with external partners (Universities, Industry, other National Laboratories) to advance computational biology simulation efforts.
Prepare complex and detailed weekly progress reports to support project needs and deadlines. Prepare complex written analyses and verbal briefings, and present research results at corporate meetings.
Develop new and innovative research methods relevant to the needs of Laboratory programs and/or external funding agencies
Write proposals, secure funding, and establish independent research projects.
Interact with senior project staff and management to influence programmatic decisions.
Perform other duties as assigned.

PhD in Computer Science, Computational Biology, Computational Physics or Computational Chemistry or equivalent combination of education and related experience.
Advanced knowledge and significant experience in a broad spectrum of R&D in drug design and development .
Significant experience at the postdoctoral or higher level in the field of molecular dynamics simulations, quantum mechanical calculation, cheminformatics, and enzymatic mechanisms.
Ability to work independently on defined research projects, as well as a member of a team.
Advanced computer skills including programming experience with perl, python, or C++, preferably in a UNIX environment.
Ability to develop independent research projects as demonstrated through publication of peer-reviewed manuscripts.
Ability to travel, as necessary, to interact with sponsors, customers and collaborators.

Qualifications We Desire

Experience collaborating with experimental biologists
Experience in machine learning

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About Lawrence Livermore National Laboratory

For more than 60 years, the Lawrence Livermore National Laboratory has applied science and technology to make the world a safer place.Livermore’s defining responsibility is ensuring the safety, security and reliability of the nation’s nuclear deterrent. Yet LLNL’s mission is broader than stockpile stewardship, as dangers ranging from nuclear proliferation and terrorism to energy shortages and climate change threaten national security and global stability. The Laboratory’s science and engineering are being applied to achieve breakthroughs for counterterrorism and nonproliferation, defense and intelligence, energy and environmental security.

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