Wallenberg - NTU Postdoctoral Fellow
2 days ago
KeyResponsibilities:
- Conductmolecular dynamics (MD) simulations to investigate theconformational changes and dynamics of specificproteins.
- Utilize machine learning-drivenstructure prediction to model and validate potential proteinconformations.
- Analyze free energy landscapesto understand the stability and equilibrium of proteinconformations during activation process.
- Applystructure-based virtual screening (SBVS) using deep learningframeworks to identify and evaluate new small-molecule targetingspecific drug targets.
- Conduct moleculardocking and free energy calculations to predict binding affinityand efficacy of potential binders.
- Collaboratewith experimental biologists to validate computational predictionsthrough site-directed mutagenesis and other biochemicalassays.
- Work with medicinal chemists tooptimize lead compounds for better affinity, potency, and drug-likeproperties.
JobRequirements:
- Ph.D. degreerelated to Computational biophysics, Molecular Biology,Bioinformatics or ComputationalChemistry.
- Strong computational skills,including molecular dynamics (MD) simulations, machinelearning-driven structure prediction, and enhanced samplingtechniques.
- Skilled in using computationalsoftware such as GROMACS and AMBER simulations; proficiency inprogramming languages like Python for data analysis and machinelearning
- Good knowledge in computationalbiophysics, molecular biology, biochemistry, and drugdiscovery.
- Demonstrated ability to workcollaboratively with structural biologists, medicinal chemists, andexperimental biologists
- Excellent written andoral communication skills for documenting research findings,preparing reports, and presenting results to diverseaudiences.
We regret thatonly shortlisted candidates will benotified.
Hiring Institution: NTU
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