Results 141 to 150 of about 3,948 (253)

Generating Dynamic Structures Through Physics‐Based Sampling of Predicted Inter‐Residue Geometries

open access: yesAdvanced Science, EarlyView.
While static structure prediction has been revolutionized, modeling protein dynamics remains elusive. trRosettaX2‐Dynamics is presented to address this challenge. This framework leverages a Transformer‐based network to predict inter‐residue geometric constraints, guiding conformation generation via physics‐based iterative sampling. The resulting method
Chenxiao Xiang   +3 more
wiley   +1 more source

Metal‐Organic Framework‐Based Supercapacitors: A Comprehensive Review

open access: yesAdvanced Science, EarlyView.
Overview of Metal‐Organic Frameworks (MOFs) derived electrode materials for supercapacitors. Illustration of redox reactions, conductivity enhancement, and structural stability during charge‐discharge cycling. Emphasis on synergistic effects due to surface area, porosity leading to improved electrochemical performance and energy storage efficiency ...
Swapnajit V. Mulik   +5 more
wiley   +1 more source

Thermal Cyclotrimerization Bridges Polymer‐Filler Interfaces for High‐Performance CO2 Separation Membranes

open access: yesAdvanced Science, EarlyView.
Thermal cyclotrimerization of nitriles converts interfacial discontinuity in MAF‐stu‐1/PIM‐1 MMMs into a continuity‐enhanced junction. Triazine–Zn2+ coordination between TR‐PIM chains and MAF‐stu‐1, together with hydrogen bonding and π–π stacking, lowers interfacial tension and builds selective CO2 pathways, enabling > 10 000 barrer CO2 permeability ...
Zhihong Lin   +7 more
wiley   +1 more source

Decoding Proton‐Coupled Electron Transfer Mechanism of Nicotine for Multi‐Scenario Portable Electrochemical Sensing

open access: yesAdvanced Science, EarlyView.
A key challenge in nicotine electroanalysis is the unresolved complexity of its interface process, which directly determines sensor metrics. Herein, the proton‐coupled electron transfer mechanism of nicotine is decoded for multi‐scenario portable electrochemical sensing.
Yi Peng   +9 more
wiley   +1 more source

The Test Pyramid 2.0: AI-assisted testing across the pyramid. [PDF]

open access: yesFront Artif Intell
Desai P, Singh S, Amilkanthwar S.
europepmc   +1 more source

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