structure dynamic
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2022 ◽  
Vol 250 ◽  
pp. 113371
Author(s):  
Hassan Liravi ◽  
Robert Arcos ◽  
Arnau Clot ◽  
Kenny F. Conto ◽  
Jordi Romeu

2021 ◽  
Vol 35 (17) ◽  
pp. 13610-13632
Author(s):  
Linzhou Zhang ◽  
Pengcheng Chen ◽  
Shu Pan ◽  
Fang Liu ◽  
Vincent Pauchard ◽  
...  

2021 ◽  
Vol 9 ◽  
Author(s):  
Daniel Khananshvili

The superfamily of Calcium/Cation (Ca2+/CA) antiporters extrude Ca2+ from the cytosol or subcellular compartments in exchange with Na+, K+, H+, Li+, or Mg2+ and thereby provide a key mechanism for Ca2+ signaling and ion homeostasis in biological systems ranging from bacteria to humans. The structure-dynamic determinants of ion selectivity and transport rates remain unclear, although this is of primary physiological significance. Despite wide variances in the ion selectivity and transport rates, the Ca2+/CA proteins share structural motifs, although it remains unclear how the ion recognition/binding is coupled to the ion translocation events. Here, the archaeal Na+/Ca2+ exchanger (NCX_Mj) is considered as a structure-based model that can help to resolve the ion transport mechanisms by using X-ray, HDX-MS, ATR-FTIR, and computational approaches in conjunction with functional analyses of mutants. Accumulating data reveal that the local backbone dynamics at ion-coordinating residues is characteristically constrained in apo NCX_Mj, which may predefine the affinity and stability of ion-bound species in the ground and transition states. The 3Na+ or 1Ca2+ binding to respective sites of NCX_Mj rigidify the backbone dynamics at specific segments, where the ion-dependent compression of the ion-permeating four-helix bundle (TM2, TM3, TM7, and TM8) induces the sliding of the two-helix cluster (TM1/TM6) on the protein surface to switch the OF (outward-facing) and IF (inward-facing) conformations. Taking into account the common structural elements shared by Ca2+/CAs, NCX_Mj may serve as a model for studying the structure-dynamic and functional determinants of ion-coupled alternating access, transport catalysis, and ion selectivity in Ca2+/CA proteins.


2021 ◽  
Vol 13 (2) ◽  
pp. 45-61
Author(s):  
Yinglian Zhou ◽  
Jifeng Chen

The rapid development of internet of things (IoT) and in-stream big data processing technology has brought new opportunities for the research of intelligent transportation systems. Traffic forecasting has always been a key issue in the smart transportation system. Aiming at the problem that a fixed model cannot adapt to multiple environments in traffic flow prediction and the problem of model updating for data flow, a traffic flow prediction method is proposed based on variable structure dynamic Bayesian network. Based on the complex event processing and event context, this method divides historical data through context clustering and supports cluster update through online clustering of event streams. For different clustered data, a search-scoring method is used to learn the corresponding Bayesian network structure, and a Bayesian network is approximated based on a Gaussian mixture model. When forecasting online, a suitable model or combination of models is selected according to the current context for prediction.


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