Zobrazeno 1 - 10
of 63
pro vyhledávání: '"Alan C. Cheng"'
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-11 (2024)
Abstract Pretrained deep learning models self-supervised on large datasets of language, image, and graph representations are often fine-tuned on downstream tasks and have demonstrated remarkable adaptability in a variety of applications including cha
Externí odkaz:
https://doaj.org/article/b6fc068ee5da43d79a37baee6129b5b4
Autor:
Scott A. Hollingsworth, Cameron L. Noland, Karin Vroom, Anasuya Saha, Miranda Sam, Qinshan Gao, Haihong Zhou, David U. Grandy, Sujata Singh, Zhiyun Wen, Christopher Warren, Xiaohong Shirley Ma, Daniel Malashock, Jennifer Galli, Gwenny Go, Michael Eddins, Todd Mayhood, Karthik Sathiyamoorthy, Arthur Fridman, Fahimeh Raoufi, Yacob Gomez-Llorente, Andrea Patridge, Yinyan Tang, Shi-Juan Chen, Marc Bailly, Chengjie Ji, Laura J. Kingsley, Alan C. Cheng, Bernhard H. Geierstanger, Daniel M. Gorman, Lan Zhang, Kalyan Pande
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-15 (2023)
Abstract Coronaviruses have been the causative agent of three epidemics and pandemics in the past two decades, including the ongoing COVID-19 pandemic. A broadly-neutralizing coronavirus therapeutic is desirable not only to prevent and treat COVID-19
Externí odkaz:
https://doaj.org/article/a9d7ab42a9cb4a6cb05bac47eef92301
Autor:
Essam Metwally, Victor Mak, Aileen Soriano, Matthias Zebisch, H. Leonardo Silvestre, Paul A. McEwan, Grigori Ermakov, Maribel Beaumont, Paul Tawa, John J. Barker, Rose Yen, Akash Patel, Yeon-Hee Lim, David Healy, Jennifer Hanisak, Alan C. Cheng, Tom Greshock, Thierry O. Fischmann
Publikováno v:
Communications Biology, Vol 6, Iss 1, Pp 1-13 (2023)
Abstract cGMP-dependent protein kinase I-α (PKG1α) is a target for pulmonary arterial hypertension due to its role in the regulation of smooth muscle function. While most work has focused on regulation of cGMP turnover, we recently described severa
Externí odkaz:
https://doaj.org/article/35e2c7e8e424458aafb60de67b006cea
Autor:
Ji Zhang, Tao Wang, Ashmita Saigal, Josephine Johnson, Jennifer Morrisson, Sahba Tabrizifard, Scott A. Hollingsworth, Michael J. Eddins, Wenxian Mao, Kim O’Neill, Margarita Garcia-Calvo, Ester Carballo-Jane, DingGang Liu, Taewon Ham, Qiong Zhou, Weifeng Dong, Hsien-Wei Meng, Jacqueline Hicks, Tian-Quan Cai, Taro Akiyama, Shirly Pinto, Alan C. Cheng, Thomas Greshock, John C. Marquis, Zhao Ren, Saswata Talukdar, Hussam Hisham Shaheen, Masahisa Handa
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-15 (2021)
Abstract Lung fibrosis, or the scarring of the lung, is a devastating disease with huge unmet medical need. There are limited treatment options and its prognosis is worse than most types of cancer. We previously discovered that MK-0429 is an equipote
Externí odkaz:
https://doaj.org/article/3c77d995775e4a3aa500d4b475ea8591
Autor:
Kalyan Pande, Scott A. Hollingsworth, Miranda Sam, Qinshan Gao, Sujata Singh, Anasuya Saha, Karin Vroom, Xiaohong Shirley Ma, Tres Brazell, Dan Gorman, Shi-Juan Chen, Fahimeh Raoufi, Marc Bailly, David Grandy, Karthik Sathiyamoorthy, Lan Zhang, Rob Thompson, Alan C. Cheng, Laurence Fayadat-Dilman, Bernhard H. Geierstanger, Laura J. Kingsley
Publikováno v:
Frontiers in Immunology, Vol 13 (2022)
The SARS-CoV-2 pandemic and particularly the emerging variants have deepened the need for widely available therapeutic options. We have demonstrated that hexamer-enhancing mutations in the Fc region of anti-SARS-CoV IgG antibodies lead to a noticeabl
Externí odkaz:
https://doaj.org/article/145d782d89b84e8a8997fe9cccda8169
Autor:
Alan C. Cheng, Elizabeth M. Doherty, Sheree Johnstone, Erin F. DiMauro, Jennifer Dao, Abhinav Luthra, Jay Ye, Jie Tang, Thomas Nixey, Xiaoshan Min, Philip Tagari, Les P. Miranda, Zhulun Wang
Publikováno v:
Scientific Reports, Vol 8, Iss 1, Pp 1-9 (2018)
Abstract Small molecules and antibodies each have advantages and limitations as therapeutics. Here, we present for the first time to our knowledge, the structure-guided design of “chemibodies” as small molecule-antibody hybrids that offer dual re
Externí odkaz:
https://doaj.org/article/03c054e59aee48aa9fd15ab0e960b901
Autor:
Victor W. Mak, Akash M. Patel, Rose Yen, Jennifer Hanisak, Yeon-Hee Lim, Jianming Bao, Rong Zheng, W. Michael Seganish, Yang Yu, David R. Healy, Aimie Ogawa, Zhao Ren, Aileen Soriano, Grigori P. Ermakov, Maribel Beaumont, Essam Metwally, Alan C. Cheng, Andreas Verras, Thierry Fischmann, Matthias Zebisch, H. Leonardo Silvestre, Paul A. McEwan, John Barker, Paul Rearden, Thomas J. Greshock
Publikováno v:
Journal of Medicinal Chemistry. 65:10318-10340
Activation of PKG1α is a compelling strategy for the treatment of cardiovascular diseases. As the main effector of cyclic guanosine monophosphate (cGMP), activation of PKG1α induces smooth muscle relaxation in blood vessels, lowers pulmonary blood
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::509e1acecf452693747dc2e5a314142e
https://doi.org/10.1021/acs.jmedchem.1c02109
https://doi.org/10.1021/acs.jmedchem.1c02109
Quantum mechanical (QM) descriptors of small molecules have wide applicability in understanding organic reactivity and molecular properties, but the substantial compute cost required for ab initio QM calculations limits their broad usage. Here, we in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a0b061c8faa60655b1e0e7ab7eac700
https://resolver.caltech.edu/CaltechAUTHORS:20220729-894394000
https://resolver.caltech.edu/CaltechAUTHORS:20220729-894394000
Publikováno v:
Future Medicinal Chemistry. 12:1995-1999
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d4434d24ad171587ae1789ada4a67e0f
https://doi.org/10.4155/fmc-2020-0259
https://doi.org/10.4155/fmc-2020-0259
Autor:
Elizabeth Joshi, Andy Liaw, Prabha Karnachi, Meir Glick, Yuting Xu, Matthew Tudor, Robert P. Sheridan, Falgun Shah, Juan C. Alvarez, Alan C. Cheng
Publikováno v:
Journal of Chemical Information and Modeling. 60:1969-1982
Given a particular descriptor/method combination, some quantitative structure-activity relationship (QSAR) datasets are very predictive by random-split cross-validation while others are not. Recent literature in modelability suggests that the limitin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::62fa5563d4937fc0756adda0e983dd47
https://doi.org/10.1021/acs.jcim.9b01067
https://doi.org/10.1021/acs.jcim.9b01067