Data‐Driven Engineering of Thermostable Collagen‐Mimetic Peptoid Triple Helices
Macromolecular Rapid Communications, EarlyView.Data‐driven active learning discovery of collagen‐mimetic peptoids capable of forming a thermostable collagen‐like triple helix using computational screening followed by experimental validation. ABSTRACT Collagen‐mimetic peptides (CMPs) are engineered molecules designed to replicate the triple‐helical structure of natural collagen.
Alex Berlaga +6 more
wiley +1 more source
Estrogen regulation in the prostate underlies racial disparity in men with benign prostatic hyperplasia. [PDF]
J PatholLiu TT +9 more
europepmc +1 more source
Embedding Patient and Public Involvement in Health Professions Education: Bridging Novelty and Normalisation. [PDF]
Clin TeachPaxino J +5 more
europepmc +1 more source
Predicting Infrared Optical Properties of Materials Using Machine Learning Interatomic Potentials
Materials Genome Engineering Advances, EarlyView.This work proposes a new fast computing framework for infrared reflectance spectra, MTP‐FIRE, based on machine learning potential, which can achieve the same accuracy as the existing first‐principles calculation, but can be two orders of magnitude faster on average.
Lianduan Zeng +8 more
wiley +1 more source
Dust Mite-Specific IgE in Nasal Lavage Fluid During Natural Allergen Exposure and After Nasal Provocation Test in Subjects with Suspected Local Allergic Rhinitis. [PDF]
Life (Basel)Mortada MM +5 more
europepmc +1 more source
Molecular Dynamics Study of Melt Structure and Transport Properties of Mg‒Al Alloy
Materials Genome Engineering Advances, EarlyView.The structural evolution and transport coefficients of the Mg‐Al alloy melt at different temperatures were investigated using molecular dynamics simulation methods. By establishing relationships among structure, diffusion, and viscosity, the microscopic mechanisms behind the temperature‐induced changes in transport properties are revealed. ABSTRACT The
Lijun Zhang +7 more
wiley +1 more source
A multicentre validation study of the Swedish version of the Normalization Process Theory Measure S-NoMAD. [PDF]
Implement Sci CommunÅberg AC +7 more
europepmc +1 more source
Materials Genome Engineering Advances, EarlyView.We develop an efficient GPU implementation of the hybrid Monte Carlo and molecular dynamics method in the GPUMD package and use it, in combination with the neuroevolution potential, to simulate the segregation of 15 solutes in polycrystalline Al, revealing distinct segregation patterns and the mechanisms of solute strengthening and embrittlement ...
Keke Song +6 more
wiley +1 more source