Y
Yuzhen Niu
Researcher at Lanzhou University
Publications - 17
Citations - 303
Yuzhen Niu is an academic researcher from Lanzhou University. The author has contributed to research in topics: Medicine & Internal medicine. The author has an hindex of 8, co-authored 11 publications receiving 255 citations.
Papers
More filters
Journal ArticleDOI
The molecular mechanism of bisphenol A (BPA) as an endocrine disruptor by interacting with nuclear receptors: insights from molecular dynamics (MD) simulations.
TL;DR: The present work provided the structural evidence to recognize BPA as an endocrine disruptor and would be important guidance for seeking safer substitutions of BPA.
Journal ArticleDOI
Molecular mechanism of the inhibition and remodeling of human islet amyloid polypeptide (hIAPP(1-37)) oligomer by resveratrol from molecular dynamics simulation.
TL;DR: The full understanding of inhibitory mechanism of resveratrol on the hIAPP1-37 oligomer, and the identification of its binding sites on this protein are helpful for the future design and discovery of new amyloid inhibitors.
Journal ArticleDOI
Computational study on the unbinding pathways of B-RAF inhibitors and its implication for the difference of residence time: insight from random acceleration and steered molecular dynamics simulations
TL;DR: These simulations provide valuable information to design selective B-RAF inhibitors with long residence time in the future and reveal that TAK-632 is more favorable to escape from the binding pocket through the ATP-channel rather than the allosteric-channel.
Journal ArticleDOI
In Silico Identification of Protein S-Palmitoylation Sites and Their Involvement in Human Inherited Disease
Shuyan Li,Jiazhong Li,Lulu Ning,Shaopeng Wang,Yuzhen Niu,Nengzhi Jin,Xiaojun Yao,Huanxiang Liu,Lili Xi +8 more
TL;DR: This work presents a reliable identification method for protein S-palmitoylation sites, called SeqPalm, based on a series of newly composed features from protein sequences and the synthetic minority oversampling technique that achieves the most favorable prediction performance up to now.
Journal ArticleDOI
Revealing inhibition difference between PFI-2 enantiomers against SETD7 by molecular dynamics simulations, binding free energy calculations and unbinding pathway analysis
TL;DR: A computational study combining molecular dynamics simulation, binding free energy calculations, and residue interaction network (RIN) results will be useful to understand molecular mechanism of activity difference between PFI-2 enantiomers against SETD7.