- Design and execute computational drug-discovery workflows using structure-based and ligand-based approaches, including: molecular docking, virtual screening, molecular dynamics simulations, and protein-ligand interaction analysis.
- Apply physics-based, machine-learning, and other computational approaches to therapeutic target characterization, compound screening, and hit prioritization.
- Perform structural modeling and analysis of proteins and protein complexes to characterize small-molecule binding sites, molecular interactions, and protein-protein interactions relevant to pathogen biology and host-pathogen interactions.
- Conduct computational screening and prioritization of compound libraries and chemical series to support identification and optimization of therapeutic candidates.
- Apply free-energy and related computational methods to characterize compound binding and support structure-guided compound optimization.
- Conduct and/or support cell-based, biochemical, and phenotypic assays for infectious-disease drug discovery, including antiviral and antiparasitic screening.
- Produce, coordinate, and maintain parasite and viral cultures or infected mosquitoes for use in the in vitro assays.
- Integrate computational predictions with biological activity, cytotoxicity, biochemical, phenotypic screening, structure-activity relationship, and ADME/PK data.
- Develop experimentally testable hypotheses based on computational findings and work with laboratory scientists to design appropriate validation studies.
- Analyze and interpret complex computational and experimental datasets and develop reproducible workflows for data analysis, visualization, documentation, and reporting.
- Collaborate with medicinal chemists to support structure-guided compound design, synthesis prioritization, and iterative lead optimization.
- Contribute to studies characterizing pathogen targets and host-pathogen interactions relevant to therapeutic development.
- Prepare technical reports, scientific presentations, manuscripts, protocols, and research proposals.
- Communicate research findings to internal and external collaborators and contribute to peer-reviewed scientific publications, reports, and presentations.
- Maintain knowledge of emerging computational, structural, and experimental approaches applicable to infectious-disease therapeutic discovery.
- Participate in planning project tasks, milestones, deliverables and resource allocation.
- Make detailed observations, document results, perform data analysis, and data management/curation using internal LIMS system.
- Ensure achievement of the project goals in a timely manner and within budget.
- Maintain a safe workplace ensuring that he/she is aware of and observes appropriate safety and occupational health rules and regulations. Employee is required to attend safety training relative to his/ her position and report any infractions of safety procedures to the facility Safety Officer.
- May perform other duties and responsibilities as assigned or directed by the supervisor. This may include attendance of and participation in required training for role.
Join the HJF Team!
HJF is seeking a Scientist I to support multidisciplinary research programs focused on the discovery and development of novel therapeutics against high-priority infectious diseases. The position requires specialized expertise at the interface of computational drug discovery, structural biology, and experimental infectious-disease research.
This position will be in support of the Integrated Pathogen Therapeutics Department within the Viral Diseases Program at the Walter Reed Army Institute of Research (WRAIR), Silver Spring, MD. In this role, the Scientist will develop and apply computational approaches to identify, characterize, and prioritize therapeutic targets and small-molecule candidates. Approaches will include molecular docking, virtual screening, molecular dynamics simulations, protein-ligand and protein-protein interaction modeling, and structure-based drug design. The Scientist will integrate computational predictions with experimental virology, parasitology, medicinal chemistry, and pharmacological data to support target validation, hit identification, structure-activity relationship studies, and lead optimization. Additionally, the Scientist will work as part of a multidisciplinary team and collaborate closely with computational scientists, biologists, medicinal chemists, and pharmacologists to translate computational findings into experimentally testable hypotheses and advance therapeutic candidates through preclinical discovery.
The Henry M. Jackson Foundation for the Advancement of Military Medicine (HJF) is a nonprofit organization dedicated to advancing military medicine. We serve military, medical, academic and government clients by administering, managing and supporting preeminent scientific programs that benefit members of the armed forces and civilians alike. Since its founding in 1983, HJF has served as a vital link between the military medical community and its federal and private partners. HJF's support and administrative capabilities allow military medical researchers and clinicians to maintain their scientific focus and accomplish their research goals.