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Folding encapsulation toward Lindqvist polyoxometalates within adaptive coordination cages for catalysis
《Science China Chemistry》2025年第2期561-569,共9页Ying-Mei Zhong Jin-Jin Xuan Xujie Qin Han Xiao Zi-Jun Xia Li-Peng Zhou Xiao-Qing Guo Yu-Hang Hu Lu Zhang Chunsen Li Li-Xuan Cai Qing-Fu Sun 
supported by the National Key Research and Development Program of China(2022YFA1503300,2021YFA1500400);the National Natural Science Foundation of China(22171262,22171264,22201285);the Science Foundation of Fujian Province(2021J01516,2021J02016).
In nature,enzymes at specific folded conformations exhibit high substrate complementarity,enabling them to efficiently and selectively catalyze biochemical reactions.Inspired by enzymes,coordination cages with conform...
关键词：coordination cage induced-fit POLYOXOMETALATES host-guest chemistry supramolecular catalysis 
Scalable preparation and direct visualization of cyclic polymers via self-folding cyclization technique被引量：1
《Science China Chemistry》2022年第12期2558-2566,共9页Hualong Zhang Hao Zha Chao Liu Chunyan Hong 
supported by the National Natural Science Foundation of China(22201276,22131010,52021002);the Fundamental Research Funds for the Central Universities(WK2060000012).
Cyclic polymers exhibit distinct properties compared with their linear counterparts due to the lack of chain ends.However,the scalable synthesis of cyclic polymers remains a major challenge,especially for ring-closure...
关键词：cyclic polymer scalable preparation direct visualization self-folding cyclization technique 
Simulation of the T-jump triggered unfolding and thermal unfolding vibrational spectroscopy related to polypeptides conformation fluctuation
《Science China Chemistry》2017年第8期1115-1129,共15页Xian Chen Tianmin Wu Zhe-Ning Chen Tan Jin Wei Zhuang Yisong Zheng 
supported by the National Natural Science Foundation of China(21373201,21433014);the“Strategic Priority Research Program”of the Chinese Academy of Sciences(XDB10040304,XDB20010000)
We review in this article our recent simulation works on modeling peptide T-jump and thermal unfolding Fourier transform infrared spectroscopy(FTIR) and two-dimensional infrared(2DIR) spectra. The theoretical and comp...
关键词：POLYPEPTIDES amide vibration nonlinear response MSMs T-jump implicit solvent model ITS 2DIR folding landscape 
Folding of EK peptide and its dependence on salt concentration and pH: A computational study被引量：1
《Science China Chemistry》2011年第12期1974-1981,共8页MEI Ye ZHANG DaWei DUAN Li ZHANG QingGang ZHANG John ZengHui 
supported by the National Natural Science Foundation of China (20803034);the Shanghai Rising-Star Program;supported by the Nanyang Technological University Start-up (M58110043);support from the National Natural Science Foundation of China (20933002);Shanghai Pujiang Program (09PJ1404000)
In this study, we apply both palrwise AMBER03 force field and the recently developed polarized force field to study the folding process of EK peptide under various ion strength and pH conditions. The polarized force f...
关键词：EK peptide POLARIZATION salt concentration PH 
Simulation of the thermodynamics of folding and unfolding of the Trp-cage mini-protein TC5b using different combinations of force fields and solvation models被引量：3
《Science China Chemistry》2010年第1期196-201,共6页ZHANG John ZengHui 
supported by the National Basic Research Program of China (Grant No. 2004CB719901);the National Natural Science Foundation of China (Grants No.10874104,20773060);the Natural Science Foundation of Shandong Province (Grant No.Z2007A05)
Molecular dynamics simulations based on AMBER force fields(ff96 and ff03) and generalized Born models(igb1 and igb5) have been carried out in order to study folding/unfolding of the Trp-cage mini-protein TC5b.The ther...
关键词：TRP-CAGE TC5b FOLDING and UNFOLDING REPLICA-EXCHANGE melting curve implicit SOLVATION 
Reversible folding/unfolding of small α-helix in explicit solvent investigated by ABEEMσπ/MM被引量：3
《Science China Chemistry》2009年第11期1917-1924,共8页LIU Cui & YANG ZhongZhi Chemistry and Chemical Engineering Faculty,Liaoning Normal University,Dalian 116029,China 
We have performed molecular dynamics simulations on the reversible folding/unfolding of small α-helix(short Ala based peptide Ala5) in explicit water solvent in terms of ABEEMσπ/MM.A dynamics analysis shows that t...
关键词：REVERSIBLE folding/unfolding of protein Ala5 temperature hydrogen BOND 
High activity of Mj HSP16.5 under acidic condition被引量：1
《Science China Chemistry》2009年第3期325-331,共7页WANG Zheng CAO AoNeng LAI LuHua 
Supported by the National Natural Science Foundation of China (Grant Nos. 20203001, 20673003, and 30490245);Ministry of Science and Technology of China (Grant No. 2006AA02Z301)
Small heat shock proteins (sHSPs) exist ubiquitously among all organisms, with a variety of functions. All small heat shock proteins assemble into a native large oligomeric state containing 9–40 monomers. The sHSPs s...
关键词：small heat shock protein CHAPERONE MJ HSP16.5 DIMER ACIDIC FOLDING AGGREGATION 
Interaction Between HMG Proteins (1+2) and the Negative Regulatory Region 1(NCR1) in the 5'-flanking Sequence of the Human β-globin Gene
《Science China Chemistry》1993年第8期933-939,共7页钱若兰 陈雅娣 胡玉龙 李民乾 王中怀 徐耀良 
This work was supported by grants from Academia Sinica.
The pattern of high mobility group proteins 1 and 2 (HMG1,2) interaction with the 5’-flanking sequence of the human β-globin gene has been analyzed by scanning tunnelling microscopy (STM). A 200 bp negative regulato...
关键词：HMG protein STM Β-GLOBIN gene CHROMATIN FOLDING 
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