Zobrazeno 1 - 10
of 64
pro vyhledávání: '"Shuhao Wen"'
Autor:
Bruno C. Hancock, Shuhao Wen, Sun Guangxu, Chunwang Peng, Virginia M. Burger, Liu Yang, Ma Jian, Yide Alan Jiang, Eric Dybeck, Qun Zeng, Brian Samas, Peiyu Zhang, Michael A. Bellucci, Geoffrey P. F. Wood, Yingdi Jin, Mingjun Yang
Publikováno v:
Crystal Growth & Design. 20:5211-5224
Crystal structure prediction (CSP) calculations can reduce risk and improve efficiency during drug development. Traditionally CSP calculations use lattice energies computed through density function...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0e4b8308910fbe21bd850c6b82a9448a
https://doi.org/10.1021/acs.cgd.0c00422
https://doi.org/10.1021/acs.cgd.0c00422
Autor:
Peiyu Zhang, Bochen Li, Qun Zeng, Jessica L McKinley, Shuhao Wen, Guangxu Sun, Chandler Greenwell, Gregory J. O. Beran
Publikováno v:
Chemical Science. 11:2200-2214
Molecular crystal structure prediction is increasingly being applied to study the solid form landscapes of larger, more flexible pharmaceutical molecules. Despite many successes in crystal structure prediction, van der Waals-inclusive density functio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4de8ec70a9ed251741e6a435a5256ae4
https://doi.org/10.1039/c9sc05689k
https://doi.org/10.1039/c9sc05689k
Autor:
Peng Li, Shuhao Wen, Songqiu Yang, Huan Qi, Pei-Yu Zhang, Ke-Li Han, Ya-Lan Liu, Xue-Xiang Zhang, Yan Qiao, Hai-long Piao
Publikováno v:
Chemical Science
The applications of most fluorescent probes available for Glutathione S-Transferases (GSTs), including NI3 which we developed recently based on 1,8-naphthalimide (NI), are limited by their short emission wavelengths due to insufficient penetration. T
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de69d476c2ef75b864e29f01166acf29
https://pubmed.ncbi.nlm.nih.gov/34094361
https://pubmed.ncbi.nlm.nih.gov/34094361
Publikováno v:
Journal of Information Science. :016555152110612
This article uses the characteristics of citation curves in emerging research topics (ERTs) and combines them with the ERTs’ knowledge bases to draw conclusions by comparing their development patterns. The goal of this study is to enrich the toolse
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7907428ce3489a89baf1b356bb3b03de
https://doi.org/10.1177/01655515211061219
https://doi.org/10.1177/01655515211061219
Autor:
Yanan Zhang, Zhangrong Lou, Panwang Zhou, Shuhao Wen, Peng Li, Yan Jia, Ningjiu Zhao, Yan Qiao, Pei-Yu Zhang, Ke-Li Han
Publikováno v:
Analytical chemistry. 92(19)
The biological roles of reactive oxygen species (ROS) depend highly on their dynamics. However, it has been challenging for measuring the dynamics of ROS in cells. In this study, we address a core challenge in developing fluorescence probes for monit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57ccd78b34b57c7ef0d83fa79a04878b
https://pubmed.ncbi.nlm.nih.gov/32674559
https://pubmed.ncbi.nlm.nih.gov/32674559
Autor:
Zhixiong Lin, Junjie Zou, Shuai Liu, Chunwang Peng, Zhipeng Li, Xiao Wan, Dong Fang, Jian Yin, Gianpaolo Gobbo, Yongpan Chen, Jian Ma, Shuhao Wen, Peiyu Zhang, Mingjun Yang
Publikováno v:
Journal of Chemical Information and Modeling. 61:4819-4819
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0175518afd4d28ba52acf19e056924af
https://doi.org/10.1021/acs.jcim.1c00934
https://doi.org/10.1021/acs.jcim.1c00934
Publikováno v:
The Journal of Physical Chemistry C. 121:26629-26636
Organic photovoltaic (OPV) devices hold a great deal of promise for the emerging solar market. However, to unlock this promise, it is necessary to understand how OPV devices generate free charges. Here, we analyze the energetics and charge delocaliza
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b2a9ec72ea3d0b57250faac7b2e72e94
https://doi.org/10.1021/acs.jpcc.7b08726
https://doi.org/10.1021/acs.jpcc.7b08726
Autor:
Chandler, Greenwell, Jessica L, McKinley, Peiyu, Zhang, Qun, Zeng, Guangxu, Sun, Bochen, Li, Shuhao, Wen, Gregory J O, Beran
Publikováno v:
Chemical Science
Widely used crystal structure prediction models based on density functional theory can perform poorly for conformational polymorphs, but a new model corrects those polymorph stability rankings.
Molecular crystal structure prediction is increasin
Molecular crystal structure prediction is increasin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::d6d9a2f52a38523961333f57deceef9f
https://pubmed.ncbi.nlm.nih.gov/32190277
https://pubmed.ncbi.nlm.nih.gov/32190277
Autor:
Mingjun Yang, Dybeck, Eric, Guangxu Sun, Chunwang Peng, Samas, Brian, Burger, Virginia M., Qun Zeng, Yingdi Jin, Bellucci, Michael A., Yang Liu, Peiyu Zhang, Jian Ma, Jiang, Yide Alan, Hancock, Bruno C., Shuhao Wen, Wood, Geoffrey P. F.
Publikováno v:
Crystal Growth & Design; 8/5/2020, Vol. 20 Issue 8, p5211-5224, 14p
Autor:
Greenwell, Chandler, McKinley, Jessica L., Peiyu Zhang, Qun Zeng, Guangxu Sun, Bochen Li, Shuhao Wen, Beran, Gregory J. O.
Publikováno v:
Chemical Science; 2/28/2020, Vol. 11 Issue 8, p2200-2214, 15p