Citation:
Wei Liang CAO, Hong You GUO, Shi Lei XUE, Xin Gang Ren, Zuo Xing WangBeijing. MM CALCULATIONS OF THE METAL-PROTEIN MODEL COMPLEXESⅠ.MOLECULAR FORCE FIELD FOR COBALT COMPEXES[J]. Chinese Chemical Letters,
;1992, 3(5): 393-396.
-
Cobalt-protein complexes play an important role in biochemical processes.The structure of themodel molecule, Co(H2O)3SO4(phen) has been studied by molecular mechanics.The molecular forcefield (MM2) parameters have been developed for the particular class of the complexes
-
-
-
-
[1]
Bingwei Wang , Yihong Ding , Xiao Tian . Benchmarking model chemistry composite calculations for vertical ionization potential of molecular systems. Chinese Chemical Letters, 2025, 36(2): 109721-. doi: 10.1016/j.cclet.2024.109721
-
[2]
Yu-Yao Li , Xiao-Hui Li , Zhi-Xuan An , Yang Chu , Xiu-Li Wang . Room-temperature olefin epoxidation reaction by two 2D cobalt metal-organic complexes under O2 atmosphere: Coordination and structural regulation. Chinese Chemical Letters, 2025, 36(4): 109716-. doi: 10.1016/j.cclet.2024.109716
-
[3]
Jinqi Yang , Xiaoxiang Hu , Yuanyuan Zhang , Lingyu Zhao , Chunlin Yue , Yuan Cao , Yangyang Zhang , Zhenwen Zhao . Direct observation of natural products bound to protein based on UHPLC-ESI-MS combined with molecular dynamics simulation. Chinese Chemical Letters, 2025, 36(5): 110128-. doi: 10.1016/j.cclet.2024.110128
-
[4]
Yuanhua Xiao , Jinhui Shou , Shiwei Zhang , Ya Shen , Junwei Liu , Dangcheng Su , Yang Kong , Xiaodong Jia , Qingxiang Yang , Shaoming Fang , Xuezhao Wang . Synergistic interlayer confinement and built-in electric field construct reconstruction-inhibited cobalt selenide for robust oxygen evolution at high current density. Chinese Chemical Letters, 2025, 36(11): 111441-. doi: 10.1016/j.cclet.2025.111441
-
[5]
Huanyu Liu , Gang Yu , Ruoyao Guo , Hao Qi , Jiayin Zheng , Tong Jin , Zifeng Zhao , Zuqiang Bian , Zhiwei Liu . Direct identification of energy transfer mechanism in CeⅢ-MnⅡ system by constructing molecular heteronuclear complexes. Chinese Chemical Letters, 2025, 36(2): 110296-. doi: 10.1016/j.cclet.2024.110296
-
[6]
Li Lin , Song-Lin Tian , Zhen-Yu Hu , Yu Zhang , Li-Min Chang , Jia-Jun Wang , Wan-Qiang Liu , Qing-Shuang Wang , Fang Wang . Molecular crowding electrolytes for stabilizing Zn metal anode in rechargeable aqueous batteries. Chinese Chemical Letters, 2024, 35(7): 109802-. doi: 10.1016/j.cclet.2024.109802
-
[7]
Muhammad Riaz , Rakesh Kumar Gupta , Di Sun , Mohammad Azam , Ping Cui . Selective adsorption of organic dyes and iodine by a two-dimensional cobalt(II) metal-organic framework. Chinese Journal of Structural Chemistry, 2024, 43(12): 100427-100427. doi: 10.1016/j.cjsc.2024.100427
-
[8]
Tengjia Ni , Xianbiao Hou , Huanlei Wang , Lei Chu , Shuixing Dai , Minghua Huang . Controllable defect engineering based on cobalt metal-organic framework for boosting oxygen evolution reaction. Chinese Journal of Structural Chemistry, 2024, 43(1): 100210-100210. doi: 10.1016/j.cjsc.2023.100210
-
[9]
Shili Wang , Mamitiana Roger Razanajatovo , Xuedong Du , Shunli Wan , Xin He , Qiuming Peng , Qingrui Zhang . Recent advances on decomplexation mechanisms of heavy metal complexes in persulfate-based advanced oxidation processes. Chinese Chemical Letters, 2024, 35(6): 109140-. doi: 10.1016/j.cclet.2023.109140
-
[10]
Zhu Shu , Xin Lei , Yeye Ai , Ke Shao , Jianliang Shen , Zhegang Huang , Yongguang Li . ATP-induced supramolecular assembly based on chromophoric organic molecules and metal complexes. Chinese Chemical Letters, 2024, 35(11): 109585-. doi: 10.1016/j.cclet.2024.109585
-
[11]
Hongzhe GUO , Sen WANG , Lu YANG , Fucheng LIU , Jiongpeng ZHAO , Zhaoquan YAO . Highly selective acetylene capture by a pacs-type metal-organic framework constructed using metal-formate complexes as pore partition units. Chinese Journal of Inorganic Chemistry, 2025, 41(10): 2157-2164. doi: 10.11862/CJIC.20250179
-
[12]
Shaohua Zhang , Liyao Liu , Yingqiao Ma , Chong-an Di . Advances in theoretical calculations of organic thermoelectric materials. Chinese Chemical Letters, 2024, 35(8): 109749-. doi: 10.1016/j.cclet.2024.109749
-
[13]
Haoying ZHAI , Lanzong WEN , Wenjie LIAO , Qin LI , Wenjun ZHOU , Kun CAO . Metal-organic framework-derived sulfur-doped iron-cobalt tannate nanorods for efficient oxygen evolution reaction performance. Chinese Journal of Inorganic Chemistry, 2025, 41(5): 1037-1048. doi: 10.11862/CJIC.20240320
-
[14]
Xinnan XIE , Boyu ZHANG , Jianxun YANG , Yi ZHONG , Younis Osama , Jianxiao YANG , Xinchun YANG . Ultrafine platinum clusters achieved by metal-organic framework derived cobalt nanoparticle/porous carbon: Remarkable catalytic performance in dehydrogenation of ammonia borane. Chinese Journal of Inorganic Chemistry, 2025, 41(10): 2095-2102. doi: 10.11862/CJIC.20250025
-
[15]
Panpan Wang , Hongbao Fang , Mengmeng Wang , Guandong Zhang , Na Xu , Yan Su , Hongke Liu , Zhi Su . A mitochondria targeting Ir(III) complex triggers ferroptosis and autophagy for cancer therapy: A case of aggregation enhanced PDT strategy for metal complexes. Chinese Chemical Letters, 2025, 36(1): 110099-. doi: 10.1016/j.cclet.2024.110099
-
[16]
Bofei JIA , Zhihao LIU , Zongyuan GAO , Shuai ZHOU , Mengxiang WU , Qian ZHANG , Xiamei ZHANG , Shuzhong CHEN , Xiaohan YANG , Yahong LI . Cu(Ⅱ) and Cu(Ⅰ) complexes based on derivatives of imidazo[1,5-a]pyridine: Synthesis, structures, in situ metal-ligand reactions, and catalytic activity. Chinese Journal of Inorganic Chemistry, 2025, 41(5): 1020-1036. doi: 10.11862/CJIC.20240317
-
[17]
Chen Chen , Jinzhou Zheng , Chaoqin Chu , Qinkun Xiao , Chaozheng He , Xi Fu . An effective method for generating crystal structures based on the variational autoencoder and the diffusion model. Chinese Chemical Letters, 2025, 36(4): 109739-. doi: 10.1016/j.cclet.2024.109739
-
[18]
Jun Guo , Zhenbang Zhuang , Wanqiang Liu , Gang Huang . "Co-coordination force" assisted rigid-flexible coupling crystalline polymer for high-performance aqueous zinc-organic batteries. Chinese Chemical Letters, 2024, 35(9): 109803-. doi: 10.1016/j.cclet.2024.109803
-
[19]
Fang-Yuan Chen , Wen-Chao Geng , Kang Cai , Dong-Sheng Guo . Molecular recognition of cyclophanes in water. Chinese Chemical Letters, 2024, 35(5): 109161-. doi: 10.1016/j.cclet.2023.109161
-
[20]
Wenbi Wu , Yinchu Dong , Haofan Liu , Xuebing Jiang , Li Li , Yi Zhang , Maling Gou . Modification of plasma protein for bioprinting via photopolymerization. Chinese Chemical Letters, 2024, 35(8): 109260-. doi: 10.1016/j.cclet.2023.109260
-
[1]
Metrics
- PDF Downloads(0)
- Abstract views(1005)
- HTML views(13)
Login In
DownLoad: