Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Dongxiao Hao"'
Autor:
Luxuan Wang, Xibing He, Beihong Ji, Fengyang Han, Taoyu Niu, Lianjin Cai, Jingchen Zhai, Dongxiao Hao, Junmei Wang
Publikováno v:
Biomolecules, Vol 14, Iss 6, p 648 (2024)
Structure-based virtual screening utilizes molecular docking to explore and analyze ligand–macromolecule interactions, crucial for identifying and developing potential drug candidates. Although there is availability of several widely used docking p
Externí odkaz:
https://doaj.org/article/efe279034189414d862d5899c3b8d336
Autor:
He Wang, Yongjian Zang, Yizhen Zhao, Dongxiao Hao, Ying Kang, Jianwen Zhang, Zichen Zhang, Lei Zhang, Zhiwei Yang, Shengli Zhang
Publikováno v:
Viruses, Vol 14, Iss 3, p 469 (2022)
To date, many experiments have revealed that the functional balance between hemagglutinin (HA) and neuraminidase (NA) plays a crucial role in viral mobility, production, and transmission. However, whether and how HA and NA maintain balance at the seq
Externí odkaz:
https://doaj.org/article/b0b281b5b1f24b54ab86cf9919df180d
Autor:
Yongjian Zang, He Wang, Dongxiao Hao, Ying Kang, Jianwen Zhang, Xuhua Li, Lei Zhang, Zhiwei Yang, Shengli Zhang
Publikováno v:
Journal of Chemical Information and Modeling. 62:6639-6648
p38α is a key serine/threonine kinase that can enable atypical auto-activation through Zap70 phosphorylation and initiate T cell receptor signaling. The auto-activation plays an important role in autoimmune diseases. Although the classical activatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5698fea51e921565bc936c0eff68b7db
https://doi.org/10.1021/acs.jcim.2c00236
https://doi.org/10.1021/acs.jcim.2c00236
Publikováno v:
Journal of Chemical Theory and Computation. 18:978-991
An efficient yet accurate method for producing a large amount of energy data for molecular mechanical force field (MMFF) parameterization is on demand, especially for torsional angle parameters which are typically derived to reproduce
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a972d763046a2a16c55daa1e9d174186
https://doi.org/10.1021/acs.jctc.1c01043
https://doi.org/10.1021/acs.jctc.1c01043
Autor:
Lin-Tao Jia, Xiaohui Yuan, He Wang, Lei Zhang, Shengqing Li, Yizhen Zhao, Shengli Zhang, Zhiwei Yang, Dongxiao Hao, Lingjie Meng
Publikováno v:
RSC Advances. 11:147-159
Peroxisome proliferator-activated receptor gamma (PPARγ) is an attractive target for chemoprevention of lung carcinoma, however its highly dynamic nature has plagued drug development for decades, with difficulties in receptor modeling for structure-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c8f31700c56888afb0a2cd4fdff0c53a
https://doi.org/10.1039/d0ra09059j
https://doi.org/10.1039/d0ra09059j
Autor:
Xiaohui Yuan, Xuhua Li, Zhiwei Yang, Dongxiao Hao, He Wang, Yongjian Zang, Lei Zhang, Yizhen Zhao, Shengli Zhang
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(24)
SARS-CoV-2 has recently caused an epidemic in humans and poses a huge threat to global public health. As a primary receptor of SARS-CoV-2, angiotensin-converting enzyme 2 (ACE2) exists in different hosts that are in close contact with humans, especia
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ffc3b0dbe965a27d7a6f51525dcc7f78
https://pubmed.ncbi.nlm.nih.gov/34132301
https://pubmed.ncbi.nlm.nih.gov/34132301
Publikováno v:
Journal of chemical information and modeling. 62(21)
Inhibition of the cholesteryl ester transfer protein (CETP) has been considered as a promising way for the treatment of cardiovascular disease (CVD) for three decades. However, clinical trials of several CETP inhibitors with various potencies have be
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d1e8a83963dfd92a80571a188b58f380
https://pubmed.ncbi.nlm.nih.gov/33858135
https://pubmed.ncbi.nlm.nih.gov/33858135
Publikováno v:
Journal of chemical information and modeling. 60(12)
With continually increased computer power, molecular mechanics force field-based approaches, such as the endpoint methods of molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) and molecular mechanics generalized Born surface area (MM-GBSA),
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::95db018cefca137ebf9a836c5c0975cc
https://pubmed.ncbi.nlm.nih.gov/33213150
https://pubmed.ncbi.nlm.nih.gov/33213150
Autor:
Yanzi Xu, Zhiwei Yang, Lingjie Meng, Dongxiao Hao, Xiaochi Wang, Shengli Zhang, Daquan Wang, Dongfeng Dang
Publikováno v:
ACS Applied Nano Materials. 1:2324-2331
To achieve the highly emissive features and overcome the troublesome photobleaching for fluorescent organic molecules, a facile and versatile strategy named “self-isolation enhanced emission (SIEE)” was developed to prevent the π–π stacking o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eba48d76c8fd2998e9a5483f58b4e1f1
https://doi.org/10.1021/acsanm.8b00409
https://doi.org/10.1021/acsanm.8b00409
Autor:
Zhiwei, Yang, Yizhen, Zhao, Dongxiao, Hao, Shunlin, Ren, Xiaohui, Yuan, Lingjie, Meng, Shengli, Zhang
Publikováno v:
Journal of biomolecular structuredynamics. 38(7)
Peroxisome proliferator-activated receptor gamma (PPAR
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::e2fbb29149b1f72c4e4fe0556c64bae9
https://pubmed.ncbi.nlm.nih.gov/31099308
https://pubmed.ncbi.nlm.nih.gov/31099308