Studies of the Mechanism of Nucleosome Dynamics: A Review on Multifactorial Regulation from Computational and Experimental Cases

por Shi, Danfeng, Huang, Yuxin, Bai, Chen
Publicado 2023

Application of Coarse-Grained (CG) Models to Explore Conformational Pathway of Large-Scale Protein Machines

por Shi, Danfeng, An, Ke, Zhang, Honghui, Xu, Peiyi, Bai, Chen
Publicado 2022

Protective V127 prion variant prevents prion disease by interrupting the formation of dimer and fibril from molecular dynamics simulations

por Zhou, Shuangyan, Shi, Danfeng, Liu, Xuewei, Liu, Huanxiang, Yao, Xiaojun
Publicado 2016

Deciphering the Allosteric Effect of Antagonist Vismodegib on Smoothened Receptor Deactivation Using Metadynamics Simulation

por An, Xiaoli, Bai, Qifeng, Bai, Fang, Shi, Danfeng, Liu, Huanxiang, Yao, Xiaojun
Publicado 2019

Influence of Chirality of Crizotinib on Its MTH1 Protein Inhibitory Activity: Insight from Molecular Dynamics Simulations and Binding Free Energy Calculations

por Niu, Yuzhen, Pan, Dabo, Shi, Danfeng, Bai, Qifeng, Liu, Huanxiang, Yao, Xiaojun
Publicado 2015

Revealing inhibition difference between PFI-2 enantiomers against SETD7 by molecular dynamics simulations, binding free energy calculations and unbinding pathway analysis

por Niu, Yuzhen, Shi, Danfeng, Li, Lanlan, Guo, Jingyun, Liu, Huanxiang, Yao, Xiaojun
Publicado 2017

Discovery of novel anti-tumor compounds targeting PARP-1 with induction of autophagy through in silico and in vitro screening

por Shi, Danfeng, Pang, Qianqian, Qin, Qianyu, Yao, Xinsheng, Yao, Xiaojun, Yu, Yang
Publicado 2022

A predicted structure of NADPH Oxidase 1 identifies key components of ROS generation and strategies for inhibition

por Liu, Yezhou, Liang, Shiyu, Shi, Danfeng, Zhang, Yue, Bai, Chen, Ye, Richard D.
Publicado 2023

Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship

por Shi, Danfeng, An, Xiaoli, Bai, Qifeng, Bing, Zhitong, Zhou, Shuangyan, Liu, Huanxiang, Yao, Xiaojun
Publicado 2019

Effect of Health Belief Model Education on Increasing Cognition and Self-Care Behaviour among Elderly Women with Malignant Gynaecological Tumours in Fujian, China

por Liu, Chenyin, Chen, Xianjing, Huang, Mengli, Xie, Qun, Lin, Qiaoming, Chen, Siai, Shi, Danfeng
Publicado 2021

Identifying the molecular basis of Jinhong tablets against chronic superficial gastritis via chemical profile identification and symptom-guided network pharmacology analysis

por Shi, Danfeng, Liu, Lingxian, Li, Haibo, Pan, Dabo, Yao, Xiaojun, Xiao, Wei, Yao, Xinsheng, Yu, Yang
Publicado 2022

Investigate the mechanisms of Chinese medicine Fuzhengkangai towards EGFR mutation-positive lung adenocarcinomas by network pharmacology

por Bing, Zhitong, Cheng, Zhiyuan, Shi, Danfeng, Liu, Xinkui, Tian, Jinhui, Yao, Xiaojun, Zhang, Jingyun, Wang, Yongfeng, Yang, Kehu
Publicado 2018

Design, synthesis, and biological evaluation of quinazolin-4(3H)-one derivatives co-targeting poly(ADP-ribose) polymerase-1 and bromodomain containing protein 4 for breast cancer t...

por Chang, Xiaosa, Sun, Dejuan, Shi, Danfeng, Wang, Guan, Chen, Yanmei, Zhang, Kai, Tan, Huidan, Liu, Jie, Liu, Bo, Ouyang, Liang
Publicado 2021

Integrating network pharmacology and experimental verification to decipher the immunomodulatory effect of Bu-Zhong-Yi-Qi-Tang against poly (I:C)-induced pulmonary inflammation

por Hu, Liufang, Yamamoto, Marina, Chen, Jiali, Duan, Huifang, Du, Jing, He, Liangliang, Shi, Danfeng, Yao, Xinsheng, Nagai, Takayuki, Kiyohara, Hiroaki, Yao, Zhihong
Publicado 2022