mechanistic / dynamical model

This study identifies sequence-dependent rules for collagen contraction driven by water-mediated structural rearrangements during dehydration.

The paper shows that affinity maturation enhances HIV-1 recognition by reshaping antibody encounter state pathways through germline-somatic residue synergy.

The paper explains cancer resistance to therapy through tissue-level homeostatic feedback, showing that malignant cells retain tissue-specific signaling patterns from healthy tissues.

This paper introduces a mechanistic tumour-growth model with nonlocal feedback and Bayesian inference to explain explosive tumour dynamics and quantify their parameters from data.

The paper investigates how binding characteristics and dosing thresholds affect the efficacy of T cell engagers across different donors and constructs.

This study identifies the NS3 protease domain of Yellow Fever Virus as a high-affinity G4 binder, revealing its interaction mechanism and potential as an antiviral target.

This study identifies an FGF7-FGFR2-KLF4 feedback loop that maintains anti-inflammatory signaling in epithelial cells, offering potential therapeutic strategies for inflammatory diseases.

This study evaluates how temperature affects UCB-1A binding to SV2A and SV2C using experimental assays and molecular dynamics simulations, finding that binding to SV2C remains stable while SV2A shows temperature sensitivity.

This study identifies an adenosine-Gzmk axis that drives T cell aging and systemic inflammaging, showing that targeting it can reverse aging phenotypes and extend lifespan in mice.

The paper shows chemotherapy-induced ATP release from dying pancreatic cancer cells activates P2X7 in stellate cells, promoting IL-6 production and tumor resistance.

The paper uses molecular dynamics simulations to study how supercoiling affects DNA radiosensitivity, finding that negative supercoiling increases rupture likelihood under specific conditions.

This study identifies Trem2hi macrophages as mediators bridging inflammation resolution and fibrosis initiation after kidney injury, showing their role in promoting fibrosis through specific mechanisms.

This paper introduces a physics-based simulation framework that models cell-matrix mechanotransduction and reproduces key mechanobiological behaviors without external directional cues.

The paper shows that plant cell wall charge regulates iron retention and bioavailability by acting as an electrostatic gate, with implications for nutrient homeostasis.

This study identifies molecular determinants of allosteric inhibitor affinity and selectivity in PDE5 by analyzing structural and thermodynamic factors.

This paper develops a mechanochemical model to predict nuclear deformation and lamina remodeling in response to substrate nanotopography and validates predictions through experiments.

This study shows that intermittent WEE1 inhibition preserves T cell function and enhances immune control of HPV+ tumors through non-cell-autonomous immune activation mechanisms.

The paper reports the structure of full-length TECPR1 using cryo-EM, revealing its cis Dysferlin domain architecture and stabilizing intramolecular interface.

This study uses molecular dynamics simulations to analyze endosomal escape mechanisms of siRNA polyplexes and a lipid nanoparticle, identifying key interactions that correlate with in vitro performance.

This paper develops a mechanistic model showing that intermediate antibody levels and low CD8+ T-cell immunity increase dengue disease severity, and that CD8+ T-cell responses can mitigate antibody-dependent enhancement.

This paper shows that lipid membrane asymmetry can induce transient gel-like domains, altering membrane rigidity and curvature preferences.

ABI5 suppresses BR signaling genes to enhance aliphatic glucosinolate biosynthesis in Arabidopsis.

The paper develops a mechanistic model of caspase-mediated apoptosis in prostate cancer to identify regulators of drug resistance and predict therapeutic strategies.

The paper develops a modified inverted pendulum model to show that human walking speed and step length are constrained by mechanical feasibility and work capacity, not just energy efficiency.

The paper identifies NFAT inhibition as a cause of reduced uterine natural killer (uNK) cells and pregnancy complications in humans through analysis of uterus transplant recipients.

This study characterizes a chitinase from marine Aspergillus terreus that exhibits both endo- and exochitinase activities, producing GlcNAc and oligomers from different chitin substrates.

This study investigates the molecular mechanism of cardiac myosin dysfunction caused by the A57D mutation in MLC1v using single-molecule analysis and computational modeling.

This paper elucidates the mechanistic basis for the selective recognition of FcγRIIa by monoclonal antibody IV.3 through a combination of experimental and computational methods.

This study identifies key residues in photoactivated adenylyl cyclase allosteric signaling using simulations, network theory, and machine learning.

This study shows that elevated cfDNA and fragment shortening in cancer are due to saturated hepatic clearance, not tumor burden alone.