Postdoctoral Research Associate-College of Science and Engineering
Texas Christian University
Fort Worth, TX
Full-time
Research
Posted on May 10, 2024
Job Summary:
The Postdoctoral Research Associate is responsible for performing independent research on virtual screening of beyond-rule-of-five therapeutics.
Duties & Essential Job Functions:
1. Implements computational workflows for conformational sampling, continuum solvation, and density functional theory (DFT) prediction of molecular structure and properties.
2. Implements in the workflows alternative hypotheses bridging multiple code bases, including commercial and open-source electronic structure packages.
3. Benchmarks computational workflows from published SAMPL physical properties competitions
4. Prepares validated computational workflows as entries to new upcoming SAMPL physical properties competitions
5. Communicates research findings and results through oral and written presentation.
6. Assists in the preparation of manuscripts based on research findings.
7. Works collaboratively with graduate student researchers and assist with mentoring undergraduate researchers.
8. Performs other related duties as assigned.
Required Education & Experience:
• Ph.D. in Chemistry
Preferred Education & Experience:
• Experience with electronic structure simulation in high-performance computing environments.
• Experience writing, validating, and releasing open-source or commercial molecular simulation software.
• Experience simulating drug docking, pKa, solubility, and/or other properties relevant to pharmaceutical virtual screening. Experience with previous SAMPL blind challenges is especially desired.
• Proven record with communicating and publishing research results.
Required Licensure/Certification/Specialized Training:
• None
Preferred Licensure, Certification, and/or Specialized Training:
• None
Knowledge, Skills & Abilities:
• Knowledge of Linux environments.
• Knowledge of Python and/or Perl.
• Knowledge of at least one open or commercial electronic structure simulation package.
• Ability to perform research and document results.
• Ability to communicate effectively.
• Ability to work both independently and collaboratively as part of a team.
• Ability to mentor undergraduate researchers.
TCU Core Competencies:
University Core Competencies definitions may be found on the Human Resources website and in the staff performance management system.
Physical Requirements (With or Without Accommodations):
• Visual acuity to read information from computer screens, forms, and other printed materials and information.
• Able to speak (enunciate) clearly in conversation and general communication.
• Hearing ability for verbal communication/conversation/responses via telephone, telephone systems, and face-to-face interactions.
• Manual dexterity for typing, writing, standing and reaching, flexibility, body movement for bending, crouching, walking, kneeling and prolonged sitting.
• Lifting and moving objects and equipment up to 10 lbs.
Work Environment:
• Work is indoors and sedentary and is subject to schedule changes and/or variable work hours.
• This role is an on campus, in-person position.
• There are no harmful environmental conditions present for this job.
• The noise level in this work environment is usually moderate.
AA/EEO Statement:
As an AA/EEO employer, TCU recruits, hires, and promotes qualified persons in all job classifications without regard to age, race, color, religion, sex, sexual orientation, gender, gender identity, gender expression, national origin, ethnic origin, disability, genetic information, covered veteran status, or any other basis protected by law.
The Postdoctoral Research Associate is responsible for performing independent research on virtual screening of beyond-rule-of-five therapeutics.
Duties & Essential Job Functions:
1. Implements computational workflows for conformational sampling, continuum solvation, and density functional theory (DFT) prediction of molecular structure and properties.
2. Implements in the workflows alternative hypotheses bridging multiple code bases, including commercial and open-source electronic structure packages.
3. Benchmarks computational workflows from published SAMPL physical properties competitions
4. Prepares validated computational workflows as entries to new upcoming SAMPL physical properties competitions
5. Communicates research findings and results through oral and written presentation.
6. Assists in the preparation of manuscripts based on research findings.
7. Works collaboratively with graduate student researchers and assist with mentoring undergraduate researchers.
8. Performs other related duties as assigned.
Required Education & Experience:
• Ph.D. in Chemistry
Preferred Education & Experience:
• Experience with electronic structure simulation in high-performance computing environments.
• Experience writing, validating, and releasing open-source or commercial molecular simulation software.
• Experience simulating drug docking, pKa, solubility, and/or other properties relevant to pharmaceutical virtual screening. Experience with previous SAMPL blind challenges is especially desired.
• Proven record with communicating and publishing research results.
Required Licensure/Certification/Specialized Training:
• None
Preferred Licensure, Certification, and/or Specialized Training:
• None
Knowledge, Skills & Abilities:
• Knowledge of Linux environments.
• Knowledge of Python and/or Perl.
• Knowledge of at least one open or commercial electronic structure simulation package.
• Ability to perform research and document results.
• Ability to communicate effectively.
• Ability to work both independently and collaboratively as part of a team.
• Ability to mentor undergraduate researchers.
TCU Core Competencies:
University Core Competencies definitions may be found on the Human Resources website and in the staff performance management system.
Physical Requirements (With or Without Accommodations):
• Visual acuity to read information from computer screens, forms, and other printed materials and information.
• Able to speak (enunciate) clearly in conversation and general communication.
• Hearing ability for verbal communication/conversation/responses via telephone, telephone systems, and face-to-face interactions.
• Manual dexterity for typing, writing, standing and reaching, flexibility, body movement for bending, crouching, walking, kneeling and prolonged sitting.
• Lifting and moving objects and equipment up to 10 lbs.
Work Environment:
• Work is indoors and sedentary and is subject to schedule changes and/or variable work hours.
• This role is an on campus, in-person position.
• There are no harmful environmental conditions present for this job.
• The noise level in this work environment is usually moderate.
AA/EEO Statement:
As an AA/EEO employer, TCU recruits, hires, and promotes qualified persons in all job classifications without regard to age, race, color, religion, sex, sexual orientation, gender, gender identity, gender expression, national origin, ethnic origin, disability, genetic information, covered veteran status, or any other basis protected by law.
