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NEMAT automates non-equilibrium free-energy calculations for membrane proteins, accurately predicting ligand affinity and decomposing binding energy into membrane and protein components.

The paper proposes a discrete model based on Fibonacci growth patterns to explain metabolic scaling, showing better agreement with empirical data than continuous fractal models.

This study quantifies how fungal hyphae act as vapor sinks by analyzing condensation patterns and shows consistency across species and conditions.

This paper develops a framework to simulate diffusion MRI from histology at clinically relevant scales, showing accurate results with reduced computational cost.

This study investigates pH-induced structural changes in Hen Egg-White Lysozyme using simulations and experiments, revealing how titratable residues influence conformational fluctuations and hydration behavior across pH ranges.

This study evaluates enhanced sampling methods for RNA force field benchmarking using an 8-mer tetraloop, finding T-REMD most robust for accurate folding free energy estimates.

This study determines cryo-EM structures of brain-derived ATTR fibrils from patients with V30M and V30G variants, revealing distinct folds compared to peripheral tissues.

The paper identifies dopamine as a direct agonist of GluDs, showing G-protein regulation of their activity and implications for neurological diseases.

This study shows phospholipase D (PLD) reduces lipid and protein diffusion in membranes by producing phosphatidic acid, which affects phosphoinositide signaling and membrane protrusion.

This paper introduces dynaMIET, a method to measure 3D membrane dynamics in live cells, and shows it can track lateral diffusion and vertical fluctuations simultaneously.

This study models human iron overload cardiomyopathy in vitro using engineered heart tissues, revealing differential effects on cardiomyocytes and fibroblasts and mechanisms of arrhythmogenesis and reduced contractility.

This study develops a sustainable method for creating liposomal lamellar phases through optimized hydration and sonication, along with a machine-learning tool for vesicle size analysis.

This study shows Kaiso binds methylated nucleosomes with position-specific affinity and displaces the H3 tail, suggesting a general mechanism for chromatin remodeling by DNA-binding factors.

This paper investigates the conformational dynamics of plasmepsin X during inhibitor binding and unbinding using molecular dynamics simulations, revealing a dominant unbinding pathway involving flap conformational changes.

This paper introduces modular RNA:DNA nanostructures for direct, amplification-free rRNA profiling, enabling detection of rRNA variants and processing states.

This study shows benthic diatoms use mechanical strategies to navigate shear flows, revealing how shear induces rolling and directional gliding on surfaces.

This paper uses simulations to show that concentric and eccentric cardiac growth are regulated by ATP homeostasis and titin-based stress, respectively, and can model growth patterns from both genetic and clinical causes.

This paper introduces OPES multithermal sampling to efficiently explore rare conformations in intrinsically disordered proteins, revealing transient tertiary structures in ACTR.

This paper quantifies quantum coherence in tubulin networks, showing that functional relevance requires amplification beyond thermodynamic limits and introduces a framework to evaluate biological quantum-coherence claims.