Wallenberg - NTU Postdoctoral Fellow
1 month ago
Key Responsibilities:
- Conduct molecular dynamics (MD) simulations to investigate the conformational changes and dynamics of specific proteins.
- Utilize machine learning-driven structure prediction to model and validate potential protein conformations.
- Analyze free energy landscapes to understand the stability and equilibrium of protein conformations during activation process.
- Apply structure-based virtual screening (SBVS) using deep learning frameworks to identify and evaluate new small-molecule targeting specific drug targets.
- Conduct molecular docking and free energy calculations to predict binding affinity and efficacy of potential binders.
- Collaborate with experimental biologists to validate computational predictions through site-directed mutagenesis and other biochemical assays.
- Work with medicinal chemists to optimize lead compounds for better affinity, potency, and drug-like properties.
Job Requirements:
- Ph.D. degree related to Computational biophysics, Molecular Biology, Bioinformatics or Computational Chemistry.
- Strong computational skills, including molecular dynamics (MD) simulations, machine learning-driven structure prediction, and enhanced sampling techniques.
- Skilled in using computational software such as GROMACS and AMBER simulations; proficiency in programming languages like Python for data analysis and machine learning
- Good knowledge in computational biophysics, molecular biology, biochemistry, and drug discovery.
- Demonstrated ability to work collaboratively with structural biologists, medicinal chemists, and experimental biologists
- Excellent written and oral communication skills for documenting research findings, preparing reports, and presenting results to diverse audiences.
We regret that only shortlisted candidates will be notified.
Hiring Institution: NTU
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