Frontiers in Molecular Biosciences
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#1Zenghua QiH-Index: 9
#2Tao WangH-Index: 2
Last. Zongwei CaiH-Index: 76
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Unlike pyranoside cycles which are generally characterized with strictly defined conformational preferences, furanosides are flexible and may adopt a wide range of available conformations. During our previous studies conformational changes of galactofuranoside cycles upon total sulfation were described computationally using simple Hartree-Fock (HF) method and principal conformers of the 5-membered galactose ring were revealed. However, in case of more complex disaccharide structures it was found...
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Calmodulin (CaM) is a calcium-binding protein that transduces signals to downstream proteins through target binding upon calcium binding in a time-dependent manner. Understanding the target binding process that tunes CaM’s affinity for the calcium ions (Ca2+), or vice versa, may provide insight into how Ca2+-CaM selects its target binding proteins. However, modeling of Ca2+-CaM in molecular simulations is challenging because of the gross structural changes in its central linker regions while the...
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#1Jiwei Sun (HUST: Huazhong University of Science and Technology)H-Index: 3
#1Jiwei SunH-Index: 1
Last. Lili ChenH-Index: 1
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Proteins interact to form complexes. Predicting the quaternary structure of protein complexes is useful for protein function analysis, protein engineering, and drug design. However, few user-friendly tools leveraging the latest deep learning technology for inter-chain contact prediction and the distance-based modelling to predict protein quaternary structures are available. To address this gap, we develop DeepComplex, a web server for predicting structures of dimeric protein complexes. It uses d...
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Cholesterol as an allosteric modulator of G protein-coupled Receptor (GPCR) function is well documented. This quintessential mammalian lipid facilitates receptor-ligand interactions and multimerization states. Functionally, this introduces a complicated mechanism for homeostatic modulation of GPCR signaling. Chemokine receptors are class A GPCRs responsible for immune cell trafficking through binding of endogenous peptide ligands. CCR3 is a CC motif chemokine receptor expressed by eosinophils an...
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