Molecular Dynamics Simulations and Dynamic Network Analysis Reveal the Allosteric Unbinding of Monobody to H-Ras Triggered by R135K Mutation

por Ni, Duan, Song, Kun, Zhang, Jian, Lu, Shaoyong
Publicado 2017

Computational Insights into the Interactions between Calmodulin and the c/nSH2 Domains of p85α Regulatory Subunit of PI3Kα: Implication for PI3Kα Activation by Calmodulin

por Ni, Duan, Liu, Dingyu, Zhang, Jian, Lu, Shaoyong
Publicado 2018

Rational Design of Peptide-Based Inhibitors Disrupting Protein-Protein Interactions

por Wang, Xuefei, Ni, Duan, Liu, Yaqin, Lu, Shaoyong
Publicado 2021

How Changes in the Nutritional Landscape Shape Gut Immunometabolism

por Tan, Jian, Ni, Duan, Ribeiro, Rosilene V., Pinget, Gabriela V., Macia, Laurence
Publicado 2021

Markov State Models and Molecular Dynamics Simulations Provide Understanding of the Nucleotide-Dependent Dimerization-Based Activation of LRRK2 ROC Domain

por Li, Xinyi, Qi, Zengxin, Ni, Duan, Lu, Shaoyong, Chen, Liang, Chen, Xiangyu
Publicado 2021

The Role of Conformational Dynamics and Allostery in the Control of Distinct Efficacies of Agonists to the Glucocorticoid Receptor

por Shi, Yuxin, Cao, Shu, Ni, Duan, Fan, Jigang, Lu, Shaoyong, Xue, Mintao
Publicado 2022

Your Regulatory T Cells Are What You Eat: How Diet and Gut Microbiota Affect Regulatory T Cell Development

por Tan, Jian, Taitz, Jemma, Sun, Shir Ming, Langford, Lachlan, Ni, Duan, Macia, Laurence
Publicado 2022

The chemical diversity and structure-based discovery of allosteric modulators for the PIF-pocket of protein kinase PDK1

por Xu, Xinyuan, Chen, Yingyi, Fu, Qiang, Ni, Duan, Zhang, Jian, Li, Xiaolong, Lu, Shaoyong
Publicado 2019

Chondrocyte Co-cultures with the Stromal Vascular Fraction of Adipose Tissue in Polyhydroxybutyrate/Poly-(hydroxybutyrate-co-hydroxyhexanoate) Scaffolds: Evaluation of Cartilage Re...

por Ba, Kai, Wei, Xueqin, Ni, Duan, Li, Na, Du, Tianfeng, Wang, Xinbo, Pan, Wenting
Publicado 2019

Mechanism of allosteric activation of SIRT6 revealed by the action of rationally designed activators

por Lu, Shaoyong, Chen, Yingyi, Wei, Jiacheng, Zhao, Mingzhu, Ni, Duan, He, Xinheng, Zhang, Jian
Publicado 2021

Zinc-mediated conformational preselection mechanism in the allosteric control of DNA binding to the zinc transcriptional regulator (ZitR)

por He, Xinheng, Ni, Duan, Zhang, Hao, Li, Xinyi, Zhang, Jian, Fu, Qiang, Liu, Yaqin, Lu, Shaoyong
Publicado 2020

Assessment of Age-Related Morphometric Changes of Subcortical Structures in Healthy People Using Ultra-High Field 7 Tesla Magnetic Resonance Imaging

por Wang, Xue-Yuan, Zhao, Lei, Yu, Tao, Qiao, Liang, Ni, Duan-Yu, Zhang, Guo-Jun, Li, Yong-Jie
Publicado 2016

Atomic-scale insights into allosteric inhibition and evolutional rescue mechanism of Streptococcus thermophilus Cas9 by the anti-CRISPR protein AcrIIA6

por Li, Xinyi, Wang, Chengxiang, Peng, Ting, Chai, Zongtao, Ni, Duan, Liu, Yaqin, Zhang, Jian, Chen, Ting, Lu, Shaoyong
Publicado 2021

Autopromotion of K-Ras4B Feedback Activation Through an SOS-Mediated Long-Range Allosteric Effect

por He, Xuan, Du, Kui, Wang, Yuanhao, Fan, Jigang, Li, Mingyu, Ni, Duan, Lu, Shaoyong, Bian, Xiaolan, Liu, Yaqin
Publicado 2022

Temporal tracking of microglial and monocyte single-cell transcriptomics in lethal flavivirus infection

por Spiteri, Alanna G., Wishart, Claire L., Ni, Duan, Viengkhou, Barney, Macia, Laurence, Hofer, Markus J., King, Nicholas J. C.
Publicado 2023

Discovery of cryptic allosteric sites using reversed allosteric communication by a combined computational and experimental strategy

por Ni, Duan, Wei, Jiacheng, He, Xinheng, Rehman, Ashfaq Ur, Li, Xinyi, Qiu, Yuran, Pu, Jun, Lu, Shaoyong, Zhang, Jian
Publicado 2020

Impact of Dietary Fiber on West Nile Virus Infection

por Ni, Duan, Tan, Jian, Niewold, Paula, Spiteri, Alanna Gabrielle, Pinget, Gabriela Veronica, Stanley, Dragana, King, Nicholas Jonathan Cole, Macia, Laurence
Publicado 2022

Elucidation of the conformational dynamics and assembly of Argonaute–RNA complexes by distinct yet coordinated actions of the supplementary microRNA

por Zhuang, Haiming, Fan, Xiaohua, Ji, Dong, Wang, Yuanhao, Fan, Jigang, Li, Mingyu, Ni, Duan, Lu, Shaoyong, Li, Xiaolong, Chai, Zongtao
Publicado 2022

Mechanistic Insights Into Co-Administration of Allosteric and Orthosteric Drugs to Overcome Drug-Resistance in T315I BCR-ABL1

por Zhang, Hao, Zhu, Mingsheng, Li, Mingzi, Ni, Duan, Wang, Yuanhao, Deng, Liping, Du, Kui, Lu, Shaoyong, Shi, Hui, Cai, Chen
Publicado 2022

PLX5622 Reduces Disease Severity in Lethal CNS Infection by Off-Target Inhibition of Peripheral Inflammatory Monocyte Production

por Spiteri, Alanna G., Ni, Duan, Ling, Zheng Lung, Macia, Laurence, Campbell, Iain L., Hofer, Markus J., King, Nicholas J. C.
Publicado 2022