mechanistic / dynamical model

The paper develops a theoretical framework to link residual stresses in plant organs to their shape dynamics and shows how tissue incompatibilities can lead to specific growth phenomena.

This study investigates how the Nt17 domain of huntingtin protein senses curved membranes using molecular dynamics and CD spectroscopy, finding that terminal Phe residues drive curvature preference.

This study develops a mathematical framework to analyze how protein stability adapts to complex thermal environments, showing that mean temperature and thermal fluctuations have distinct effects on thermodynamic parameters.

The paper uses molecular dynamics simulations to reveal the atomistic mechanism of cation permeation and voltage sensitivity in the CNGA1 ion channel.

The paper applies a quantum-classical model to explain Bicoid morphogen gradient dynamics and its interpretation by the Hunchback gene in Drosophila embryos.

The paper investigates aggresome formation by reconstituting aggregate transport in Xenopus egg extract, finding that episodic dynein-mediated transport enables positive size selectivity.

This study uses atomistic simulations to analyze the conformational dynamics and interdomain interactions of full-length FUS during phase separation, revealing key electrostatic interactions and domain stability effects.

This study identifies the flexible stalk domain of sTREM2 as critical for differential ligand binding and neuroprotection in Alzheimer's disease through molecular dynamics simulations.

This study investigates how RNase A and RNase 1 cleave pseudouridine and its derivatives, finding that UpA is cleaved more efficiently than {Psi}pA or m1{Psi}pA.

This study investigates how aromatic amino acids in the orthosteric region of CB1 regulate conformational transitions using molecular dynamics simulations, revealing their roles in stabilizing active states and modulating receptor dynamics.

This study investigates ADGRG1 activation mechanisms through mechanical and allosteric pathways, showing force direction determines signaling via GAIN domain dynamics and introducing engineered variants with tailored sensitivity.

This paper develops a mathematical model to understand how early-life secretory IgA and gut microbiome interactions shape immune tolerance and homeostasis.

HIV-1 suppresses Th1 polarization by disrupting CD4 T cell-Dendritic cell communication through Nef-mediated CD4 downregulation.

The paper investigates how distal mutations in a retro-aldolase affect loop dynamics and catalytic efficiency, showing an epistatic effect when combined with active-site mutations.

This paper develops a mathematical model of heart-tumour interactions under immune checkpoint inhibitor therapy and uses optimal control to design dosing schedules that balance therapeutic and toxic effects.

This paper develops a method to estimate rotational diffusion tensors of proteins from MD simulations and validates it using BD simulations, finding ubiquitin exhibits nearly semi-isotropic diffusion.

This study shows that Panax notoginseng-derived extracellular vesicles deliver miRNAs to neurons, reducing ischemic injury by modulating stress responses and mitochondrial function.

This study shows that aging microbiota impairs Treg cell function through TNF signaling, leading to inflammation and immune aging.

This study identifies LAG3+ CD8+ T cells as key effectors in bispecific antibody armed T cell therapy for HR+/HER2- breast cancer and shows how checkpoint inhibitors can enhance their anti-tumor function.

This study shows that RNA structural flexibility influences its ion atmosphere, with unstructured RNAs having diffuse ion clouds that extend further than folded RNAs.

This paper reveals the atomistic mechanism of voltage gating in TREK K2P channels through molecular dynamics simulations and electrophysiology, showing how SF conformational flexibility and water influx regulate ion permeation.

This study shows that PIEZO1 enhances decidualization by promoting BECN1-dependent autophagy in response to ECM stiffness and cell contraction.

This study shows how PspA rods thin lipid tubules by inducing membrane curvature through N-terminal helix 0 interactions, overcoming bending energy via molecular mechanisms.

This study shows that TLL1 knockdown reduces prostate cancer progression by enhancing antitumor immunity through increased CD8+ T cell infiltration.

The paper determines the sub-nanometer structure of the SUN5-Nesprin3 LINC complex in human sperm cells, revealing its role in nuclear envelope remodelling and male infertility.

This study uses coarse-grained simulations to show that hydrophobic mismatch drives lipid reorganization around voltage-gated sodium channels, favoring DIPC over DPPC and cholesterol.

This study identifies HDH's neuroprotective effects against rotenone toxicity in SH-SY5Y cells via Akt pathway activation and anti-inflammatory/antioxidant mechanisms.

The paper identifies intermediate voltage-sensor conformations in hERG channels caused by LQTS-associated mutations using FLIM, tmFRET, and MD simulations.

This study identifies RGH6 as an RNA helicase essential for miRNA processing and endosperm cell patterning in maize, showing defects in miRNA levels and embryo development in mutants.