Citation: Qiao Lin DENG, Yu Zhen HAN, Lu Hua LAI, Xiao Jie XU, You Qi TANG. APPLICATION OF MONTE-CARLO SIMULATED ANNEALING ON CONFORMATIONAL ANALYSIS[J]. Chinese Chemical Letters, ;1991, 2(10): 809-812. shu

APPLICATION OF MONTE-CARLO SIMULATED ANNEALING ON CONFORMATIONAL ANALYSIS

a. Institute of Physical Chemistry, Peking University, Beijing 100871;
b. Institute of Molecular Science, Shanxi University, Taiyuan

Received Date: 15 July 1991

Mothod (SA) was applied to the conformational analysis of flexible molecules such as peptides. The programs SAMM and SAPEP have been developed, using MM2 force field for organic molecules and ECEPP/2 force field for peptides respectively.nte-Carlo simulated annealing me
1. [1]
  Kangren Kong , Zaiqiang Ma , Yu Yin , Zhaoming Liu , Ruikang Tang . Nuclear magnetic resonance-guided Monte Carlo/molecular dynamics structure inference for amorphous solids. Chinese Journal of Structural Chemistry, 2026, 45(3): 100773-100773. doi: 10.1016/j.cjsc.2025.100773
2. [2]
  Mingying Chen , Junjie Ma , Xiyong Chen , Qian Liu , Yanhong Feng , Xijun Liu . Support engineering of single-atom electrocatalysis: Mechanism analysis and application expansion. Chinese Chemical Letters, 2026, 37(4): 111637-. doi: 10.1016/j.cclet.2025.111637
3. [3]
  Weiyu Chen , Zenghui Li , Chenguang Zhao , Lisha Zha , Junfeng Shi , Dan Yuan . Enzyme-modulate conformational changes in amphiphile peptide for selectively cell delivery. Chinese Chemical Letters, 2024, 35(12): 109628-. doi: 10.1016/j.cclet.2024.109628
4. [4]
  Jaeheon Lee , Jung Hyeun Kim . Effect of thermal annealing on cold crystallization ability of thermoset polyurethane elastomer synthesized from fully bio-derived polyol. Chinese Journal of Structural Chemistry, 2025, 44(5): 100568-100568. doi: 10.1016/j.cjsc.2025.100568
5. [5]
  Yutong Xiong , Ting Meng , Wendi Luo , Bin Tu , Shuai Wang , Qingdao Zeng . Molecular conformational effects on co-assembly systems of low-symmetric carboxylic acids investigated by scanning tunneling microscopy. Chinese Journal of Structural Chemistry, 2025, 44(2): 100511-100511. doi: 10.1016/j.cjsc.2025.100511
6. [6]
  Xing-Cheng Hu , Qiu-Shui Mu , Shu-Jin Bao , Yan Zou , Xin-Yu Wang , Guo-Xin Jin . Ligand conformational adaptability modulated self-assembly of Solomon links (412) and trefoil knots (31). Chinese Journal of Structural Chemistry, 2025, 44(10): 100712-100712. doi: 10.1016/j.cjsc.2025.100712
7. [7]
  Haitao Yin , Liang Meng , Li Li , Jiamu Xiao , Longrui Liang , Nannan Huang , Yansong Shi , Angang Zhao , Jingwen Hou . Polydopamine-modified biochar supported polylactic acid and zero-valent iron affects the functional microbial community structure for 1,1,1-trichloroethane removal in simulated groundwater. Chinese Chemical Letters, 2025, 36(1): 110313-. doi: 10.1016/j.cclet.2024.110313
8. [8]
  Xueling Yu , Lixing Fu , Tong Wang , Zhixin Liu , Na Niu , Ligang Chen . Multivariate chemical analysis: From sensors to sensor arrays. Chinese Chemical Letters, 2024, 35(7): 109167-. doi: 10.1016/j.cclet.2023.109167
9. [9]
  Yueyan Zhang , Zhihai Yang , Xia Suo , Ruicheng Wang , Xuewei Nie , Zafar Mahmood , Yanping Huo , Shi-Jian Su , Shaomin Ji . Tailoring luminescence properties of NIR-BODIPY emitters through donor engineering and intramolecular conformational locking for high-performance solution-processed OLEDs. Chinese Chemical Letters, 2025, 36(12): 111071-. doi: 10.1016/j.cclet.2025.111071
10. [10]
  Wei-Tao Dou , Qing-Wen Zeng , Yan Kang , Haidong Jia , Yulian Niu , Jinglong Wang , Lin Xu . Construction and application of multicomponent fluorescent droplets. Chinese Chemical Letters, 2025, 36(1): 109995-. doi: 10.1016/j.cclet.2024.109995
11. [11]
  Neng Shi , Haonan Jia , Jixiang Zhang , Pengyu Lu , Chenglong Cai , Yixin Zhang , Liqiang Zhang , Nongyue He , Weiran Zhu , Yan Cai , Zhangqi Feng , Ting Wang . Accurate expression of neck motion signal by piezoelectric sensor data analysis. Chinese Chemical Letters, 2024, 35(9): 109302-. doi: 10.1016/j.cclet.2023.109302
12. [12]
  Yuxin Li , Chengbin Liu , Qiuju Li , Shun Mao . Fluorescence analysis of antibiotics and antibiotic-resistance genes in the environment: A mini review. Chinese Chemical Letters, 2024, 35(10): 109541-. doi: 10.1016/j.cclet.2024.109541
13. [13]
  Zixuan Chen , Yafeng Wu , Zhaoyan Tian , Zhaohan Wang , Weiwei Liu , Songqin Liu . A reproducible hybrid membrane for in situ analysis of cell secretions with a wide size range. Chinese Chemical Letters, 2025, 36(12): 110917-. doi: 10.1016/j.cclet.2025.110917
14. [14]
  Zihe SONG , Jinjin ZHAO , Ning REN , Jianjun ZHANG . Crystal structure, thermal analysis, and luminescence properties of six heterocyclic lanthanide complexes. Chinese Journal of Inorganic Chemistry, 2026, 42(1): 181-192. doi: 10.11862/CJIC.20250126
15. [15]
  Chuanjian Cui , Zhuang Liu , Shiyu Yang , Qiang Wei , Jiahui Ding , Ziyang Xu , Changyong Zhang . Performance analysis of membrane capacitive deionization (MCDI): The relative insensitivity to feedwater temperatures. Chinese Chemical Letters, 2026, 37(2): 111342-. doi: 10.1016/j.cclet.2025.111342
16. [16]
  Yanhui Zhong , Peisi Xie , Chengyi Xie , Lei Guo , Weiwei Chen , Shuyi Wang , Xiaoxiao Wang , Fuyue Wang , Zian Lin , Gongke Li , Zongwei Cai . Rigid urea-based structures drive analysis of chiral amino acids. Chinese Chemical Letters, 2026, 37(2): 112039-. doi: 10.1016/j.cclet.2025.112039
17. [17]
  Zhaoru Chen , Xiaoxu Liu , Haonan Chen , Jialong Li , Xiaofeng Wang , Jianfeng Zhu . Application of epoxy resin in cultural relics protection. Chinese Chemical Letters, 2024, 35(4): 109194-. doi: 10.1016/j.cclet.2023.109194
18. [18]
  Binhan Zhao , Zheng Li , Lan Zheng , Zhichao Ye , Yuyang Yuan , Shanshan Zhang , Bo Liang , Tianyu Li . Recent progress in the biomedical application of PEDOT:PSS hydrogels. Chinese Chemical Letters, 2024, 35(10): 109810-. doi: 10.1016/j.cclet.2024.109810
19. [19]
  Bharathi Natarajan , Palanisamy Kannan , Longhua Guo . Metallic nanoparticles for visual sensing: Design, mechanism, and application. Chinese Journal of Structural Chemistry, 2024, 43(9): 100349-100349. doi: 10.1016/j.cjsc.2024.100349
20. [20]
  Yanwei Duan , Qing Yang . Molecular targets and their application examples for interrupting chitin biosynthesis. Chinese Chemical Letters, 2025, 36(4): 109905-. doi: 10.1016/j.cclet.2024.109905

Get Citation

PDF

XML

Metrics

PDF Downloads(1)
Abstract views(1510)
HTML views(43)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return