Journal of chemical information and modeling
Aug 6, 2025
The coronavirus main protease, essential for viral replication, is a well-validated antiviral target. Here, we present Deep-CovBoost, a computational pipeline integrating deep learning with free energy perturbation (FEP) simulations to guide the stru... read more
Journal of agricultural and food chemistry
Aug 6, 2025
Fermentation plays a pivotal role in food preservation, with fermentative microbes enhancing food safety and stability. However, improper conditions can introduce risks. This perspective examines the dual role of microbes (the benefits of fermentativ... read more
Journal of the American Chemical Society
Aug 6, 2025
Boron, nitrogen, and carbon are neighbors in the periodic table and can form strikingly similar twin structures─hexagonal boron nitride (hBN) and graphene─yet nanofluidic experiments demonstrate drastically different water friction on them. We invest... read more
Langmuir : the ACS journal of surfaces and colloids
Aug 6, 2025
Lithium-ion batteries face safety risks, such as spontaneous combustion and explosion, during long-term use and will rupture and release combustible gases, such as CH, CO, H, and CO, during thermal runaway. Therefore, the detection of these specific ... read more
Label-free multidimensional imaging techniques are widely used in biological imaging. Among them, Raman imaging and phase imaging are two representative methods. However, Raman signals are inherently weak, leading to low signal-to-noise ratios (SNR) ... read more
Perovskite materials are considered promising candidates for applications in solar cells, photodetectors, catalysts, and light-emitting diodes, owing to their exceptional physicochemical and structural properties. Recently, the integration of machine... read more
Journal of the American Heart Association
Aug 6, 2025
BACKGROUND: Cardiovascular-kidney-metabolic (CKM) syndrome is a recently proposed condition encompassing metabolic dysfunction, chronic kidney disease, and cardiovascular diseases including coronary artery disease (CAD). Although concomitant metaboli... read more
In this study, postimplantation human epiblast and amnion development are modeled using a stem cell-based embryoid system. A dataset of 3697 fluorescent images, along with tissue, cavity, and cell masks, is generated from experimental data. A computa... read more
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