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Postdoctoral Research Associate - Computational Molecular Biophysics / NB50641956
Oak Ridge National Laboratory
Oak Ridge National Laboratory

Job Location: Oak Ridge, TN

The Biosciences Division of Oak Ridge National Laboratory performs research at the interface of biological, environmental, physical, computational, and neutron sciences. Our goal is to study and understand the function of biologically relevant molecular systems by employing high-performance computer simulations and scoring functions. The outcomewill be a high-impact predictive modeling pipeline for the discovery of small molecule compounds able to allosterically modulate protein function. Such technology has the potential to impact bioenergy efforts at ORNL, and it can help support new cross-cutting initiatives in drug discovery for cancer.

Major Duties/Responsibilities:
The goal of the project is to combine expertise in computational biophysics and molecular docking to develop tools for the discovery of small molecule allosteric modulators of protein function. Using molecular dynamics simulation and small molecule docking, predicted protein-ligand complexes will be predicted. Machine learning method for prediction of allosteric binding sites and for scoring predicted complexes will be developed and employed. In addition, development should have an eye toward scalable computations in MPI and GPU environments.

Qualifications Required:
This position requires a Ph.D. in Physics/Biophysics, Chemistry/Biochemistry, orrelated sciences. Expertise in conducting molecular dynamics simulation and protein docking is required, as is the use of high performance computing and machine learning. Experience in the development of knowledge-based scoring functions or force fields is required. Training in medical science and drug discovery is highly desirable. Applicants cannot have received their PhD more than five years prior to the date of application and must complete all degree requirements before starting their appointment. Expected duration of these appointments is one year with the possibility of an extension.This position is a temporary, full-time assignment for a maximum of 24 months, contingent on successful performance and continued funding.

Oak Ridge National Laboratory

ORNL is an equal opportunity employer. All qualified applicants, including individuals with disabilities and protected veterans, are encouraged to apply. UT-Battelle is an E-verify Employer.
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