Computer Aided Drug Design (CADD) Scientist
December 16, 2021
Computer Aided Drug Design (CADD) Scientist
Job ID: req2254
Employee Type: exempt full-time
Division: Basic Science Program
Facility: Frederick: Ft Detrick
Location: PO Box B, Frederick, MD 21702 USA
The Frederick National Laboratory is a Federally Funded Research and Development Center (FFRDC) sponsored by the National Cancer Institute (NCI) and operated by Leidos Biomedical Research, Inc. The lab addresses some of the most urgent and intractable problems in the biomedical sciences in cancer and AIDS, drug development and first-in-human clinical trials, applications of nanotechnology in medicine, and rapid response to emerging threats of infectious diseases.
Accountability, Compassion, Collaboration, Dedication, Integrity and Versatility; it's the FNL way.
Position Overview:
PROGRAM DESCRIPTION
The Basic Science Program (BSP) pursues independent, multidisciplinary research in basic and applied molecular biology, immunology, retrovirology, cancer biology, and human genetics. Research efforts are an integral part of the Center for Cancer Research (CCR) at the Frederick National Laboratory for Cancer Research (FNLCR). Research efforts for this position will be dedicated to the scientific goals of the Chemical Biology Laboratory, Computer-Aided Drug Design group, under the scientific direction of Dr. Marc Nicklaus. Dr. Nicklaus oversees the group's research program in chemoinformatics, fundamentals of protein-ligand interactions, and in silico screening for targets of high interest to the National Cancer Institute.
KEY ROLES/RESPONSIBILITIES
Responsibilities will include contributing to, and providing support for, the chemoinformatics research work of the Computer-Aided Drug Design (CADD) group in its quest to find and design novel inhibitors of enzymes of high interest in the fields of anti-cancer and antiviral drug design. The CADD Scientist will apply methods and tools, as appropriate to the task at hand, in the areas of in chemical database management, analysis of tautomerism in both a basic science context and in existing chemical databases, chemical information retrieval (such as commercial database assessment and searching), docking, and/or ADME-Tox data search and prediction in the context of in silico screening approaches. Will contribute to the work with chemical transforms for, and the resulting very large database of, the CADD Group's SAVI (Synthetically Accessible Virtual Inventory) project. The CADD Scientist will be asked to provide support in keeping the scientific software of the CADD group up to date, from both the scientific and purchasing point of view.
BASIC QUALIFICATIONS
To be considered for this position, you must minimally meet the knowledge, skills, and abilities listed below:
PREFERRED QUALIFICATIONS
Candidates with these desired skills will be given preferential consideration:
Equal Opportunity Employer (EOE) | Minority/Female/Disabled/Veteran (M/F/D/V) | Drug Free Workplace (DFW)
As directed by Executive Order 14042: Ensuring Adequate COVID Safety Protocols for Federal Contractors, effective December 8, 2021, Frederick National Laboratory (FNL) will require employees of Leidos Biomedical Research (LBR) and all newly hired employees before their start date, in the United States, to be fully vaccinated or have a qualified exemption.
#readytowork
Job ID: req2254
Employee Type: exempt full-time
Division: Basic Science Program
Facility: Frederick: Ft Detrick
Location: PO Box B, Frederick, MD 21702 USA
The Frederick National Laboratory is a Federally Funded Research and Development Center (FFRDC) sponsored by the National Cancer Institute (NCI) and operated by Leidos Biomedical Research, Inc. The lab addresses some of the most urgent and intractable problems in the biomedical sciences in cancer and AIDS, drug development and first-in-human clinical trials, applications of nanotechnology in medicine, and rapid response to emerging threats of infectious diseases.
Accountability, Compassion, Collaboration, Dedication, Integrity and Versatility; it's the FNL way.
Position Overview:
PROGRAM DESCRIPTION
The Basic Science Program (BSP) pursues independent, multidisciplinary research in basic and applied molecular biology, immunology, retrovirology, cancer biology, and human genetics. Research efforts are an integral part of the Center for Cancer Research (CCR) at the Frederick National Laboratory for Cancer Research (FNLCR). Research efforts for this position will be dedicated to the scientific goals of the Chemical Biology Laboratory, Computer-Aided Drug Design group, under the scientific direction of Dr. Marc Nicklaus. Dr. Nicklaus oversees the group's research program in chemoinformatics, fundamentals of protein-ligand interactions, and in silico screening for targets of high interest to the National Cancer Institute.
KEY ROLES/RESPONSIBILITIES
Responsibilities will include contributing to, and providing support for, the chemoinformatics research work of the Computer-Aided Drug Design (CADD) group in its quest to find and design novel inhibitors of enzymes of high interest in the fields of anti-cancer and antiviral drug design. The CADD Scientist will apply methods and tools, as appropriate to the task at hand, in the areas of in chemical database management, analysis of tautomerism in both a basic science context and in existing chemical databases, chemical information retrieval (such as commercial database assessment and searching), docking, and/or ADME-Tox data search and prediction in the context of in silico screening approaches. Will contribute to the work with chemical transforms for, and the resulting very large database of, the CADD Group's SAVI (Synthetically Accessible Virtual Inventory) project. The CADD Scientist will be asked to provide support in keeping the scientific software of the CADD group up to date, from both the scientific and purchasing point of view.
BASIC QUALIFICATIONS
To 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) or eight (8) years of related experience. Foreign degrees must be evaluated for U.S. equivalency
- In addition to the education requirement, a minimum of two (2) years of related experience
- Experience in synthetic organic chemistry
- Experience working with Chemical Abstract databases, such as SciFinder, Reaxys, and/or SQL to query chemical databases
- Ability to obtain and maintain a security clearance
PREFERRED QUALIFICATIONS
Candidates with these desired skills will be given preferential consideration:
- Experience with the software tools ChemOffice and ChemDraw, Biovia and Schrödinger tools, CACTVS, Pipeline Pilot, FlexX, GOLD, Glide, AutoDock, ADMET Predictor, MacroModel, MOE, Gaussian, AMBER, CHARMM, PyMOL and/or Rasmol
- Experience with the operating system Linux
- Ability to identify and extract information from scientific publications in chemistry and chemoinformatics
- Experience with patents, patenting, and intellectual property is a plus
- Excellent verbal and written communication skills, a demonstrated ability to work well in a multi-disciplinary team setting, and demonstrated people skills in large, complex, and international, projects
Equal Opportunity Employer (EOE) | Minority/Female/Disabled/Veteran (M/F/D/V) | Drug Free Workplace (DFW)
As directed by Executive Order 14042: Ensuring Adequate COVID Safety Protocols for Federal Contractors, effective December 8, 2021, Frederick National Laboratory (FNL) will require employees of Leidos Biomedical Research (LBR) and all newly hired employees before their start date, in the United States, to be fully vaccinated or have a qualified exemption.
#readytowork