Post Doctoral Fellow - RAS Initiative - Computational Ligand (Drug) Discovery

Frederick National Laboratory
Frederick, MD
Nov 25, 2021
Dec 03, 2021
Accountant, IT
Full Time
PROGRAM DESCRIPTIONThe Cancer Research Technology Program (CRTP) develops and implements emerging technology, cancer biology expertise and research capabilities to accomplish NCI research objectives. The CRTP is an outward-facing, multi-disciplinary hub purposed to enable the external cancer research community. A major focus of the CRTP is the NCI RAS Initiative with the goal to discover new therapeutic interventions against RAS-driven cancers. In addition, the CRTP hosts the Nanotechnology Characterization Laboratory (NCL) which performs and standardizes preclinical efficacy and toxicity testing of nanoparticles intended for cancer therapeutics and diagnostics, and the Antibody Characterization Lab (ACL) which characterizes monoclonal antibodies or other renewable affinity binding reagents for use in cancer related research. CRTP scientists also work collaboratively with intramural NCI investigators to provide research technologies and expertise.KEY ROLES/RESPONSIBILITIESThe Postdoctoral Fellow will:Work closely with a highly collaborative multidisciplinary team of chemists, biochemists, biophysicists, and cell and structural biologists at the NCI RAS Initiative to develop and optimize small molecules for use as RAS inhibitorsWork as a member of the RAS Computational Chemistry teamElucidate RAS-RAS interfaces, identify pockets at these interfaces, perform computational ligand discovery (screening large virtual databases of hundreds of millions of small molecules using docking software) toidentify molecules that stabilize these interfacesOptimize hits using computational methods including Chemical informatics methods and Free-Energy calculationsPreform experimental assays to test hits in the wet lab (or work closely with an experimental collaborator)Present research findings within the group and at national meetings and publish findings in peer reviewed journalsBASIC QUALIFICATIONSTo be considered for this position, you must minimally meet the knowledge, skills, and abilities listed below:Possession of a PhD degree from an accredited college or university according to the Council for Higher Education Accreditation (CHEA) in computational chemistry or related field. Foreign degrees must be evaluated for US equivalency No work experience required with a Doctorate degree Ability to obtain and maintain a security clearancePREFERRED QUALIFICATIONS Candidates with these desired skills will be given preferential consideration:Expertise in structure-based drug design methods, eg virtual screening, molecular docking, molecular dynamics simulations, free energy calculations, and/or cheminformatics methodsExpertise in molecular modelling, docking, and/or molecular dynamics software, eg UCSF DOCK, Autodock, Schrodinger package, Amber, NAMDKnowledge of scripting and computer languages, eg Python, Unix shell, R, C++, Fortran.Experience of working with RAS/small GTPasesKnowledge of membrane, and experience with preforming simulations of membranesKnowledge of biochemical and biophysical techniques (SPR, ITC, LC-MS etc.) to characterize protein-small molecule binding interactionsGood written and oral communications skillsMust be collaborative, self-motivated, and able to work effectively as part of a multidisciplinary team

Similar jobs