H.-X. Zhou

This paper introduces SeqDYN, a sequence-based method to predict residue-specific backbone dynamics of IDPs, identifying key amino acids involved in slow dynamics.

This study investigates how protamine compacts DNA through multiple modes, forming bends, loops, and coils that contribute to transcription silencing in sperm cells.

This study shows ATP mediates phase separation of basic intrinsically disordered proteins by acting as bridges between protein chains, forming liquid-like droplets with unique physical properties.

This study identifies a common oligomerization pathway for Aβ42 stabilized by SDS and DPC micelles, revealing structural and stabilizing mechanisms.

The paper determines the dimeric structure of the SARS-CoV-2 E protein using NMR and simulations, identifying a hydrophobic pore and potential drug-binding site.

The paper uses atomistic modeling to show that a single amino-acid substitution in γ-crystallin affects liquid-liquid phase equilibrium and critical temperature.

This study shows Mg2+ ions stabilize the SAM/SAH riboswitch structure and influence ligand binding and conformational changes through inner and outer-shell coordination.

The paper presents a structural model of an Alzheimer's Aβ42 oligomer based on solid-state NMR and cryo-EM data, explaining its stability and ion permeability.

The paper uses molecular dynamics simulations to show that Cdc42 prenylation is required for synergistic activation of WASP with PIP2, but not N-WASP.

The paper uses molecular dynamics simulations to show that tau's membrane binding partially mimics its microtubule binding, with conserved residues forming similar interactions.

This study identifies how SepF, a membrane anchor in Mtb, tethers to acidic membranes through specific residues, stabilizing Z-ring proximity for recruitment of FtsW and CrgA.

This paper identifies an Arg/Ala-rich helix in M. tuberculosis FtsQ that anchors FtsZ to membranes, influencing Z-ring formation and curvature.

SpiDec computes binodals and interfacial tension of biomolecular condensates from spinodal decomposition simulations of intrinsically disordered proteins.

This study investigates how sequence-dependent backbone dynamics in intrinsically disordered proteins (IDPs) influence their functional versatility through molecular dynamics simulations.

This paper uses generative autoencoders to predict conformational ensembles of intrinsically disordered proteins from short molecular dynamics simulations.

The paper develops a mean-field theory and validates it with simulations to show that multiphase organization in biomolecular condensates arises from two phase transitions driven by differences in self and cross-species attraction strengths.

This paper investigates how crowder proteins affect the binding affinity and kinetics of the EIN-HPr protein complex using NMR and atomistic modeling, revealing preferential interactions that destabilize the complex.

This study uses molecular dynamics simulations to analyze binding free energy and unbinding paths of ligands in a PreQ1 riboswitch, identifying key nucleotide contributions and structural changes.

The paper develops a machine learning pipeline for virtual drug screening that reduces compound libraries and classifies hits as true or false positives using a dense neural network.

This paper shows that Langevin thermostats distort protein dynamics in simulations and presents a correction scheme to remove these distortions, validated by NMR data.

The paper measures the mechanical properties of biomolecular condensates and shows that shear stress relaxation, not viscocapillary effects, governs their fusion dynamics.

This study uses molecular dynamics simulations to show that regulators of phase-separated biomolecular condensates affect interfacial tension and phase equilibrium in matching ways.

This study presents an analytical solution for the shape recovery dynamics of viscoelastic biomolecular droplets, showing multi-exponential behavior compared to the exponential behavior of viscous droplets.

The paper shows that the viscoelasticity of biomolecular condensates follows the Jeffreys model, with distinct exponential and viscous components affected by salt concentration.

The paper characterizes the extreme fuzzy membrane association of the disordered N-terminal region of ChiZ using NMR and simulations, revealing sequence-interaction dynamics.

The paper measures fusion speeds of biomolecular condensates and finds they vary by two orders of magnitude, correlating with macromolecular packing density and structure.

The paper demonstrates phase behaviors in a minimal macromolecular system involving oppositely charged proteins and polyelectrolytes, revealing physical rules underlying membraneless organelles.

The paper characterizes the conformational dynamics of an intrinsically disordered protein using NMR, SAXS, and MD simulations, identifying sequence-dependent correlated segments.

This study uses molecular dynamics simulations to show how Ca2+-bound synaptotagmin-1 facilitates vesicle fusion by interacting with both vesicle and plasma membranes through its C2 domains.

This paper uses solid-state NMR to show that 150 kDa Aβ(1-42) oligomers contain both parallel and antiparallel β-sheets with a unique inter-strand registry shift.