The Wallenberg-NTU Postdoctoral Fellowship is to bring outstanding young researchers, who have graduated from a Swedish university, to NTU for two years of postdoctoral research and studies. The Postdoctoral Fellows are given the opportunity to participate in a broad range of interdisciplinary activities and programs that characterize NTU’s approach to research and education.

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.

Hiring Institution: NTU