Zobrazeno 1 - 10
of 543
pro vyhledávání: '"John Z. H. Zhang"'
Autor:
Bojin Chen, John Z. H. Zhang
Publikováno v:
Biophysica, Vol 3, Iss 4, Pp 651-667 (2023)
Serine hydroxymethyltransferase 2 (SHMT2) has garnered significant attention as a critical catalytic regulator of the serine/glycine pathway in the one-carbon metabolism of cancer cells. Despite its potential as an anti-cancer target, only a limited
Externí odkaz:
https://doaj.org/article/ac7f986c93364825a59ea23f5b42375b
Publikováno v:
Molecules, Vol 29, Iss 4, p 881 (2024)
The major histocompatibility complex (MHC) can recognize and bind to external peptides to generate effective immune responses by presenting the peptides to T cells. Therefore, understanding the binding modes of peptide–MHC complexes (pMHC) and pred
Externí odkaz:
https://doaj.org/article/150b68b5f3fd4f7eaa79d0443bf911ea
Publikováno v:
Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-10 (2022)
Abstract Human oral bioavailability (HOB) is a key factor in determining the fate of new drugs in clinical trials. HOB is conventionally measured using expensive and time-consuming experimental tests. The use of computational models to evaluate HOB b
Externí odkaz:
https://doaj.org/article/a215ee07c3794c18b725f6e346f70622
Publikováno v:
Molecules, Vol 28, Iss 12, p 4691 (2023)
The core of large-scale drug virtual screening is to select the binders accurately and efficiently with high affinity from large libraries of small molecules in which non-binders are usually dominant. The binding affinity is significantly influenced
Externí odkaz:
https://doaj.org/article/c765bfb6824d485387e262cb9294e167
Autor:
Haiping Zhang, Xiaohua Gong, Yun Peng, Konda Mani Saravanan, Hengwei Bian, John Z. H. Zhang, Yanjie Wei, Yi Pan, Yang Yang
Publikováno v:
Frontiers in Chemistry, Vol 10 (2022)
Desired drug candidates should have both a high potential binding chance and high specificity. Recently, many drug screening strategies have been developed to screen compounds with high possible binding chances or high binding affinity. However, ther
Externí odkaz:
https://doaj.org/article/e5dc506930474c2997ebfa82406cd4e1
Autor:
Mingzhe Ma, Yinghui Feng, Yulu Miao, Qiang Shen, Shuting Tang, Juan Dong, John Z. H. Zhang, Lujia Zhang
Publikováno v:
Foods, Vol 12, Iss 8, p 1573 (2023)
Chronic diseases, such as hypertension, cause great harm to human health. Conventional drugs have promising therapeutic effects, but also cause significant side effects. Food-sourced angiotensin-converting enzyme (ACE) inhibitory peptides are an exce
Externí odkaz:
https://doaj.org/article/47c8383a84f5457b82dbf9e185753dc5
Publikováno v:
Molecules, Vol 28, Iss 6, p 2767 (2023)
Host–guest binding, despite the relatively simple structural and chemical features of individual components, still poses a challenge in computational modelling. The extreme underperformance of standard end-point methods in host–guest binding make
Externí odkaz:
https://doaj.org/article/13faab3f55924a6882e75cddb4c1ec39
Autor:
Yue Pan, Jinxiao Bao, Xingyi Zhang, Hui Ni, Yue Zhao, Fengdong Zhi, Bohuan Fang, Xiao He, John Z. H. Zhang, Lujia Zhang
Publikováno v:
Frontiers in Molecular Biosciences, Vol 9 (2022)
Aromatic aldehydes are important industrial raw materials mainly synthesized by anti-Markovnikov (AM) oxidation of corresponding aromatic olefins. The AM product selectivity remains a big challenge. P450 aMOx is the first reported enzyme that could c
Externí odkaz:
https://doaj.org/article/9106eef08f3f4b8dbc6ac73d4a792cca
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-9 (2020)
Gaining insights into combustion processes is challenging due to the complex reactions involved. The present work proposes a neural network potential model trained to ab initio data that enables to simulate the combustion of methane by predicting rea
Externí odkaz:
https://doaj.org/article/21133458a20b4ec9a9fdc67225b9d5a7
Autor:
Yue Zhao, Yulu Miao, Fengdong Zhi, Yue Pan, Jianguo Zhang, Xuepeng Yang, John Z. H. Zhang, Lujia Zhang
Publikováno v:
Frontiers in Physics, Vol 9 (2021)
Enzyme thermostability is an important parameter for estimating its industrial value. However, most naturally produced enzymes are incapable of meeting the industrial thermostability requirements. Software programs can be utilized to predict protein
Externí odkaz:
https://doaj.org/article/09c9fb8521af4de2832ab5fb9f695f6c