中央研究院 生物化學研究所

In this presentation I will provide an overview of work in my lab. ranging from all atom and coarse grained molecular dynamics simulations on type 1 transmembrane proteins (TM) and membrane attached Ras [1] and our use of AlphaFold2Multimer/AF3 [2]. Synergy (but also difficulties in matching some computational studies with experiments) are outlined for work on protein-protein and protein-membrane interactions. Our work has allowed us to advance several concepts in protein biophysics, such as conformational and dynamic allostery [3], protein entropy changes which enable subsequent binding events [4], the role of different membrane lipids on transmembrane segment protein configurations [5] and that several protein complexes in cell signaling are dynamic entities [1,6]. In the Suga lab., I am working on the next generation design and selection of transmembrane peptides [7] which regulate plexin and Eph receptors.