diffusion models

Diff-SelfA-PepGSI: A Diffusion-Based Framework for De Novo Generation, Screening, and Morphological Identification of Self-Assembled Peptide Sequences

Abstract Peptide self-assembly is a ubiquitous molecular phenomenon in which short amino acid sequences spontaneously organize into diverse nanostructures. These assemblies exhibit distinct morphologies closely linked to their biological functions and potential applications, making them attractive candidates for biomat...

Per-Stage Controls and Failure Modes in a Co-Folding Virtual Screening Cascade for the Keap1–Nrf2 Interaction

Virtual-screening cascades assembled from co-folding and learned-affinity models are now routine, and each stage is usually trusted on the strength of its own score. We measured, stage by stage, whether those scores carry the information a practitioner would attribute to them, using the Keap1–Nrf2 protein–protein inter...

Modeling for the claims clarity of chinese patents: based on multi-level linguistic feature extraction

What drives the location and diffusion of biogas units in Western France?

Boosting water back-diffusion in dry-cathode AEMWE for high-current-density hydrogen production

Dry-cathode operation is considered an ideal operating mode for AEMWE. However, water management is challenging under such conditions. Previous numerical studies have primarily focused on both-fed configurations, while comprehensive multiphysics investigations of water transport under dry-cathode operation are limited....

Multiparametric MRI radiomics integrating Arterial Spin Labeling, Quantitative Susceptibility Mapping, and Amide Proton Transfer imaging for differentiating glioma recurrence from post-treatment response

Background Using multimodal MRI, we developed a predictive model for identifying glioma recurrence and treatment response. Methods Clinical data were retrospectively collected on 274 patients with gliomas following surgery. All patients underwent the MRI scan, including Contrast-enhanced T1 Weighted Imaging (CE-T1WI),...

Industry Signals and the Dynamics of Stock Market Predictability

We investigate whether industry portfolios contain information that forecasts aggregate stock market returns. Earlier research reports evidence of their usefulness as predictors, yet later studies find weaker and unstable effects. Using updated U.S. data, we confirm that industry portfolios offer little forecasting p...

Numerical Study of Natural Convection in a Corrugated Porous Cavity Saturated with a Nanofluid of Al2O3–Cu/Water Hybrid Type: The Combined Effect of Variable Viscosity and Soret–Dufour Double-Diffusion

This study numerically investigates unsteady natural convection and Soret–Dufour double-diffusion in a two-dimensional sinusoidally wavy porous cavity saturated with an Al2O3–Cu/Water hybrid nanofluid (φ = 0.02), using a Darcy–Brinkman formulation with temperature-dependent viscosity and Rosseland thermal radiation. Th...

A Unified Kinetic Framework for Hydrogen Permeation and Thermal Desorption in Steels: Sensitivity Analysis and Practical Implications

Electrochemical permeation and thermal desorption spectroscopy (TDS) are widely used to characterize hydrogen transport and trapping in steels, but are commonly interpreted through separate modelling approaches. This work presents a unified one-dimensional kinetic framework for the coupled simulation of hydrogen permea...

INTEGRATED PROJECT-PROCESS ARCHITECTURE FOR MANAGING CONSTRUCTION ENTERPRISES UNDER CONDITIONS OF DIGITAL TRANSFORMATION

The author formulates practical recommendations for constructing an integrated management system capable of ensuring transparency of managerial decisions, reduction of cross-functional gaps, improved predictability of project outcomes, and sustainable competitive advantages of construction enterprises operating in cond...

Transient numerical modeling of heat and mass transfer in thin-layer biological materials under solar-assisted hot–arid climatic conditions

Importance of Energy and Molecular Transport on the Modeling of Explosion Limit and Explosion Behavior of Hydrogen-Oxygen Mixtures

Despite the classical developments and subsequent studies of individual transport mechanisms, many recent explosion-limit simulations still apply homogeneous formulations. Many recent study on explosion limits of reactive mixtures focuses on the usage of homogeneous models that neglect spatial transport processes. Howe...