Results 181 to 190 of about 91,388 (321)

Hidden Charge‐Order in the Mixed‐Valent K0.75Li2Cr6O12 High‐Pressure Oxide

open access: yesAdvanced Science, EarlyView.
K0.75Li2Cr6O12 is one of the few mixed valent chromium oxides. It shows a single angle spiral magnetic structure with a k = [1/3 1/3 ¼] propagation vector. Density functional theory reveals a hidden charge order that is necessary to stabilize the antiferromagnetic (AFM) ground state.
Angel M. Arévalo‐López   +3 more
wiley   +1 more source

FSH3D: 3D Representation via Fibonacci Spherical Harmonics [PDF]

open access: green
Zikuan Li   +5 more
openalex   +1 more source

cuteHap: Haplotype‐Aware Structural Variant Detection in Phased Long‐Read Sequencing Data

open access: yesAdvanced Science, EarlyView.
cuteHap is a haplotype‐aware structural variant detection method designed for phased long‐read sequencing. By employing self‐adaptive clustering and credibility‐prioritized beam search algorithms, cuteHap generates accurate haplotype‐resolved calls and outperforms state‐of‐the‐art tools.
Shuqi Cao   +7 more
wiley   +1 more source

Synergistic Tuning of Conformational Dynamics, Electron Tunneling, and Substrate Positioning Enhances Electron Transfer in a P450 Chimera for Calcifediol Biosynthesis

open access: yesAdvanced Science, EarlyView.
A synergistic electron transfer (ET) optimization strategy modulating conformational dynamics, ET pathway, and substrate orientation is proposed for self‐sufficient cytochrome P450s. Guided by this strategy, a P450 variant with improved ET and catalytic efficiency was identified, and the underlying molecular basis was revealed by computational analysis.
Ziqi Liang   +9 more
wiley   +1 more source

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