Jianhan Chen

This paper introduces a physics-based framework for simulating biomolecular phase separation and presents a machine learning library for metabolite-driven condensate formation.

This paper introduces a model called iConDNA to simulate DNA phase separation, capturing structural features and thermodynamic properties of DNA homopolymers and duplexes.

This study uses a nanopore platform to analyze the conformational dynamics and interactions of p53-TAD, showing how a mutation and a drug affect its structure and binding.

This paper shows antibiotic condensates activate magnesium signaling to enhance bacterial survival and drug tolerance.

The paper develops FARM, a framework to predict antibiotic resistance in Mycobacterium tuberculosis by combining biophysical and machine learning features, achieving high accuracy in distinguishing resistance-associated variants.

This paper uses topology-based modeling to study the binding and folding of WNV NS2B/NS3 protease and shows how the G4SG4 linker affects its stability and folding pathways.

HyRes simulates dynamic protein structures and interactions for IDPs, showing high accuracy across environments and generating ensembles for thousands of human IDPs.

This study uses lipidation to control biomolecular condensate properties and interactions, enabling the creation of multi-phase hydrogels that guide intestinal organoid morphogenesis.

This study uses simulations to analyze CheA domain interactions and identifies dynamic modes that may facilitate autophosphorylation.

This study investigates how phosphorylation of α-synuclein at S129 affects DNAJB1 binding to fibrils using biochemical assays and solid-state NMR.

This paper improves deep learning models for protein sequence-function prediction by integrating physical principles to enhance extrapolation performance.

This paper develops a coarse-grained RNA model (iConRNA) with explicit Mg2+ to simulate RNA phase separation and reveals the role of RNA folding and ion interactions in driving phase transitions.

This study identifies a domain-swapped conformation in CaMKII that enables linker-mediated allosteric regulation, demonstrated through structural, computational, and live-cell analyses.

The paper uses atomistic simulations to study voltage activation of BK channels, revealing unique VSD movement and coupling mechanisms distinct from canonical Kv channels.

This study develops a nanopore tweezers platform to track conformational dynamics of West Nile viral NS2B/NS3 protease in real-time and reveals its conformational energy landscape.

This paper investigates how the small molecule NS11021 activates BK channels by increasing inner pore hydration through atomistic simulations.

The paper develops a predictive model for BK channel voltage gating using physics-based features and random forest, achieving accurate predictions with limited mutational data.

This study shows cancer-associated mutations in p53-TAD disrupt its interactions with regulatory proteins by altering its disordered conformational state rather than directly breaking known interaction interfaces.