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Transient interactions within IDPs
Transient interactions within IDPs
IDPs exist as dynamic ensembles of flexible conformations, traditionally understood to be governed by weak, nonspecific interactions well described by homopolymer theory. However, emerging research reveals that some IDPs exhibit transient, specific interactions that challenge this conventional view. We are currently interested in uncovering the sequence determinants and functional significance of this structural feature in IDPs.
Here are a few of our recent works:
polymer model for interpreting transient interactions JPCB 2023
charge-based transient interactions PNAS 2021, biorxiv 2025-1, biorxiv 2025-2
hydrophobic-driven transient interactions Nature 2025
Computational methods for Intrinsically Disordered Proteins (IDPs)
Computational methods for Intrinsically Disordered Proteins (IDPs)
We are interested in developing a variety of computational methods in multiple resolutions for IDPs, including:
1. Polymer models:
2. Coarse-grained models:
T-HPS ACS Cent. Sci. 2019
HPS-salt JPCL 2021
Phase separation and aggregation of IDPs
Phase separation and aggregation of IDPs
Intracellular compartmentalization is essential for normal physiological activity. This is commonly accomplished through isolation by lipid membranes or vesicles, but can also be achieved without the use of a membrane via membraneless organelles. The process of liquid-liquid phase separation (LLPS) allows these organelles to spontaneously coalesce and disperse, and is important for biological functions requiring spatial organization and biochemical regulation. LLPS has also been implicated as a precursor to the formation of fibrillar aggregates, suggesting possible relevance to the pathogenesis of diseases.
Please see our recent publications for examples:
correlation between single-chain behavior and phase separation PNAS 2018
all-atom slab simulations JPCB 2020
Phase separation and aggregation of α-synuclein Adv Sci 2024
Phase separation to resolve growth-related circuit failures biorxiv 2025-3
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