Academic Exchange Seminar: Computation-Guided Control of Peptide Self-Assembly
To foster academic exchange and collaboration, Professor Han Wei from the Department of Chemistry at Hong Kong Baptist University was invited to attend a seminar at the Centre for Artificial Intelligence Driven Drug Discovery (AIDD) on December 4, 2023 (Monday) at 14:30. The seminar's theme was "Computation-Guided Control of Peptide Self-Assembly." Chaired by Professor Liu Huanxiang, the director of AIDD, the seminar saw active participation from all faculty and students of the AIDD Centre.
The content of the seminar mainly includes the following sections:
Initially, Prof. Han Wei will briefly introduce the physicochemical background of peptide self-assembly and its challenging mechanistic questions. He will then demonstrate how their developed multiscale simulation techniques delve into the mechanisms of peptide self-assembly. These simulations provide crucial molecular details of the nucleation and propagation stages of self-assembly and propose new strategies to prevent protein aggregation. Their approach also aids in designing peptide-based materials and has led to the development of the first self-assembling stapled peptide capable of forming coiled coil-like nanofibers, offering new insights into peptide self-assembly.
Post-seminar, faculty and students engaged in deep discussions, expressing a desire for further collaboration and enhancing their understanding of machine learning algorithms.
