2 papers
cond-mat.mtrl-sci2023
Implementation of the SCAN Exchange-Correlation Functional with Numerical Atomic Orbitals
Renxi Liu, Daye Zheng, Xinyuan Liang +3
Kohn-Sham density functional theory (DFT) is nowadays widely used for electronic structure theory simulations, and the accuracy and efficiency of DFT rely on approximations of the…
physics.bio-ph2023
Bidirectional allostery mechanism of catch-bond effect in cell adhesion
Xingyue Guan, Yunqiang Bian, Yi Cao +2
Catch-bonds, whereby noncovalent ligand-receptor interactions are counterintuitively reinforced by tensile forces, play a major role in cell adhesion under mechanical stress. A bas…