氣溶膠表面化學(xué)反應(yīng)的理論模擬研究科研成果

1

Role of Conformational Fluctuations of Protein toward Methylation in DNA by Cytosine-5-methyltransferase

期刊論文

Mondal Manas(#); Yang Ying; Yang Lijiang; Yang Weitao; Gao Yi Qin(*)

2

Unnatural cytosine bases recognized as thymines by DNA polymerases via the formation of the Watson-Crick geometry

期刊論文

Hu Zeng(#); Manas Mondal(#); Ruyi Song(#); Jun Zhang; Bo Xia; Menghao Liu; Chenxu Zhu; Bo He; Yi Qin Gao(*); Chengqi Yi(*)

3

Molecular dynamics simulation, ab initio calculation, and size-selected anion photoelectron spectroscopy study of initial hydration processes of calcium chloride

期刊論文

He, Zhili(#); Feng, Gang; Yang, Bin; Yang, Lijiang; Liu, Cheng Wen; Xu, Hong Guang; Xu, Xi Ling; Zheng, Wei Jun(*); Gao, Yi Qin(*)

4

Structure of water confined between two parallel graphene plates

期刊論文

Cai, Xiaoxia(#); Xie, Wen Jun; Yang, Ying; Long, Zhuoran; Zhang, Jun; Qiao, Zhuoran; Yang, Lijiang; Gao, Yi Qin(*)

5

Microscopic Insight into the Protein Denaturation Action of Urea and Its Methyl Derivatives

期刊論文

Ding, Bei(#); Yang, Lijiang; Mukherjee, Debopreeti; Chen, Jianxin; Gao, Yiqin(*); Gai, Feng(*)

6

Structural properties and influence of solvent on the stability of telomeric four-stranded i-motif DNA

期刊論文

Mondal, Manas(#); Bhattacharyya, Dhananjay; Gao, Yi Qin(*)

7

Emergence of Solvent-Separated Na -Cl- Ion Pair in Salt Water: Photoelectron Spectroscopy and Theoretical Calculations.

期刊論文

Hou, Gao-Lei(#); Liu, Cheng-Wen; Li, Ren-Zhong; Xu, Hong-Guang; Gao, Yi Qin(*); Zheng, Wei-Jun(*)

8

From 1D sequence to 3D chromatin dynamics and cellular functions: a phase separation perspective

期刊論文

Liu Sirui(#); Zhang Ling; Quan Hui; Tian Hao; Meng Luming; Yang Lijiang; Feng Huajie; Gao Yi Qin(*)

9

DNA Methylation Landscape Reflects the Spatial Organization of Chromatin in Different Cells

期刊論文

Zhang Ling(#); Xie Wen Jun; Liu Sirui; Meng Luming; Gu Chan; Gao Yi Qin(*)

10

Single Mutations Reshape the Structural Correlation Network of the DMXAA-Human STING Complex

期刊論文

Che Xing(#); Du Xiao Xia; Cai Xiaoxia; Zhang Jun; Xie Wen Jun; Long Zhuoran; Ye Zhao Yang; Zhang Heng; Yang Lijiang; Su Xiao Dong(*); Gao Yi Qin(*)

11

Ice Nucleation of Confined Monolayer Water Conforms to Classical Nucleation Theory

期刊論文

Qiao, Zhuoran(#); Zhao, Yuheng; Gao, Yi Qin(*)

12

基于鹵鍵的謝爾賓斯基三角分形自組裝的模擬研究(英文)

期刊論文

張珍(#); 謝文俊; 楊奕; 孫耿; 高毅勤(*)

13

Molecular Dynamic Simulations of the Effects of Trimethylamine-N-oxide/Urea Mixture on the Hydration of Single-Walled Carbon Nanotube Interiors

期刊論文

Yang Li-Jiang(#); Gao Yi-Qin(*)

14

Rich Dynamics Underlying Solution Reactions Revealed by Sampling and Data Mining of Reactive Trajectories

期刊論文

Zhang Jun(#); Zhang Zhen; Yang Yi Isaac; Liu Sirui; Yang Lijiang(*); Gao Yi Qin(*)

15

CDNs-STING Interaction Mechanism Investigations and Instructions on Design of CDN-Derivatives

期刊論文

Che Xing(#); Zhang Jun; Quan Hui; Yang Lijiang(*); Gao Yi Qin(*)

16

Structural Modeling of Chromatin Integrates Genome Features and Reveals Chromosome Folding Principle

期刊論文

Wen Jun Xie(#); Luming Meng; Sirui Liu; Ling Zhang; Xiaoxia Cai; Yi Qin Gao(*)

17

The effect of hydration number on the interfacial transport of sodium ions

期刊論文

Peng Jinbo(#); Cao Duanyun; He Zhili; Guo Jing; Hapala Prokop; Ma Runze; Cheng Bowei; Chen Ji; Xie Wen Jun; Li Xin Zheng; Jelinek Pavel; Xu Li Mei(*); Gao Yi Qin(*); Wang En Ge(*); Jiang Ying(*)

18

Dynamic Electric Field Complicates Chemical Reactions in Solutions

期刊論文

Lei, Yao Kun(#); Zhang, Jun; Zhang, Zhen; Gao, Yi Qin(*)

19

Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair

期刊論文

Zhu, Chenxu(#); Lu, Lining; Zhang, Jun; Yue, Zongwei; Song, Jinghui; Zong, Shuai; Liu, Menghao; Stovicek, Olivia; Gao, Yi Qin(*); Yi, Chengqi(*)

20

Interlayer hopping dynamics of bilayer water confined between graphene sheets

期刊論文

Qiao, Zhuoran(#); Xie, Wen Jun; Cai, Xiaoxia; Gao, Yi Qin(*)

21

Deep Representation Learning for Complex Free-Energy Landscapes

期刊論文

Zhang, Jun(#); Lei, Yao Kun; Che, Xing; Zhang, Zhen; Yang, Yi Isaac(*); Gao, Yi Qin(*)

22

Structural Flexibility and Conformation Features of Cyclic Dinucleotides in Aqueous Solutions.

期刊論文

Che, Xing(#); Zhang, Jun; Zhu, Yanyu; Yang, Lijiang; Quan, Hui; Gao, Yi Qin(*)

23

Hydration of potassium iodide dimer studied by photoelectron spectroscopy and ab initio calculations

期刊論文

Li, Ren-Zhong(#); Zeng, Zhen; Hou, Gao-Lei; Xu, Hong-Guang; Zhao, Xiang(*); Gao, Yi Qin(*); Zheng, Wei-Jun(*)

24

Enhanced sampling in molecular dynamics

期刊論文

Yang, Yi Isaac(#); Shao, Qiang; Zhang, Jun; Yang, Lijiang; Gao, Yi Qin(*)