Results 261 to 270 of about 2,848,964 (389)

A Quantum Framework for Protein Binding‐Site Structure Prediction on Utility‐Level Quantum Processors

open access: yesAdvanced Science, EarlyView.
This study presents a hybrid quantum‐classical framework for accurate prediction of protein structures on utility‐level quantum processors. We evaluate the practical application of the Variational Quantum Eigen‐solver (VQE) in protein structure prediction and demonstrate its superiority over state‐of‐the‐art deep learning methods in molecular docking ...
Yuqi Zhang   +10 more
wiley   +1 more source

Acoustic emission monitoring reveals keyhole formation and evolution. [PDF]

open access: yesSci Rep
Galiègue L   +6 more
europepmc   +1 more source

A Perspective on the Applications of Triphasic Gas Storage in Electrochemical Systems

open access: yesAdvanced Science, EarlyView.
Gas storage in microporous materials positioned locally at an electrode or electrocatalyst surface enhances electrochemical processes. Abstract Microporous materials store gases under dry conditions (e.g., hydrogen or oxygen via physisorption), but in some cases microporous materials also show triphasic (e.g., in a solid|gas|liquid system) gas storage ...
Zhongkai Li   +9 more
wiley   +1 more source

In Situ Lipoprotein‐seeking Dye for in Vivo Real‐Time Imaging of Lipid Dysregulation Diseases

open access: yesAdvanced Science, EarlyView.
This study develops lipoprotein‐seeking NIR‐II dyes that specifically bind circulating lipoproteins. These dyes form ultra‐stable complexes with endogenous lipoprotein, enabling real‐time, high‐contrast imaging of fatty liver and atherosclerotic plaques. Tunable binding kinetics allow customized imaging windows.
Yijing Du   +6 more
wiley   +1 more source

Enhancing Cycling Stability of Aqueous Aluminum‐Metal Batteries via LaCl3‐Modulated Interfacial Reactions

open access: yesAdvanced Science, EarlyView.
In the aqueous AlCl3 electrolyte of aluminum‐metal batteries, the introduction of LaCl3 adjusts the solvation structure of Al3+ and enhances its diffusion level. The oxide precipitate formed by La3+ covers the aluminum metal anode and effectively alleviates corrosion reactions, thereby improving the cycling stability of the battery.
Yanshen Gao   +12 more
wiley   +1 more source

Molecular Polariton Dynamics in Realistic Cavities. [PDF]

open access: yesJ Chem Theory Comput
Bustamante CM   +5 more
europepmc   +1 more source

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