Zobrazeno 1 - 10
of 150
pro vyhledávání: '"J. Bennion"'
Autor:
Derek Jones, Xiaohua Zhang, Brian J. Bennion, Sumukh Pinge, Weihong Xu, Jaeyoung Kang, Behnam Khaleghi, Niema Moshiri, Jonathan E. Allen, Tajana S. Rosing
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-16 (2024)
Abstract Traditional methods for identifying “hit” molecules from a large collection of potential drug-like candidates rely on biophysical theory to compute approximations to the Gibbs free energy of the binding interaction between the drug and i
Externí odkaz:
https://doaj.org/article/3a74bd93007e4502914ec892842a7c66
Autor:
Ya Ju Fan, Jonathan E. Allen, Kevin S. McLoughlin, Da Shi, Brian J. Bennion, Xiaohua Zhang, Felice C. Lightstone
Publikováno v:
Artificial Intelligence Chemistry, Vol 1, Iss 1, Pp 100004- (2023)
Neural Network (NN) models provide potential to speed up the drug discovery process and reduce its failure rates. The success of NN models requires uncertainty quantification (UQ) as drug discovery explores chemical space beyond the training data dis
Externí odkaz:
https://doaj.org/article/efcc644112614a30945cbc2b09c71d37
Autor:
Austen Bernardi, W. F. Drew Bennett, Stewart He, Derek Jones, Dan Kirshner, Brian J. Bennion, Timothy S. Carpenter
Publikováno v:
Membranes, Vol 13, Iss 11, p 851 (2023)
Passive permeation of cellular membranes is a key feature of many therapeutics. The relevance of passive permeability spans all biological systems as they all employ biomembranes for compartmentalization. A variety of computational techniques are cur
Externí odkaz:
https://doaj.org/article/e4ace36081004a3dae65358340807779
Autor:
Stefano Zappalá, Nicholas J. Bennion, Matthew R. Potts, Jing Wu, Slawomir Kusmia, Derek K. Jones, Sam L. Evans, David Marshall
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-13 (2021)
Abstract Positional brain shift (PBS), the sagging of the brain under the effect of gravity, is comparable in magnitude to the margin of error for the success of stereotactic interventions ( $$\sim $$ ∼ 1 mm). This non-uniform shift due to slight d
Externí odkaz:
https://doaj.org/article/2248f80b688f4bfb87b1e011e0d47071
Autor:
Brian J. Bennion, Michael A. Malfatti, Nicholas A. Be, Heather A. Enright, Saphon Hok, C. Linn Cadieux, Timothy S. Carpenter, Victoria Lao, Edward A. Kuhn, M. Windy McNerney, Felice C. Lightstone, Tuan H. Nguyen, Carlos A. Valdez
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-16 (2021)
Abstract Nerve agents have experienced a resurgence in recent times with their use against civilian targets during the attacks in Syria (2012), the poisoning of Sergei and Yulia Skripal in the United Kingdom (2018) and Alexei Navalny in Russia (2020)
Externí odkaz:
https://doaj.org/article/f1620f48e97e419eb3cf95836925d7b8
Autor:
Edmond Y. Lau, Oscar A. Negrete, W. F. Drew Bennett, Brian J. Bennion, Monica Borucki, Feliza Bourguet, Aidan Epstein, Magdalena Franco, Brooke Harmon, Stewart He, Derek Jones, Hyojin Kim, Daniel Kirshner, Victoria Lao, Jacky Lo, Kevin McLoughlin, Richard Mosesso, Deepa K. Murugesh, Edwin A. Saada, Brent Segelke, Maxwell A. Stefan, Garrett A. Stevenson, Marisa W. Torres, Dina R. Weilhammer, Sergio Wong, Yue Yang, Adam Zemla, Xiaohua Zhang, Fangqiang Zhu, Jonathan E. Allen, Felice C. Lightstone
Publikováno v:
Frontiers in Molecular Biosciences, Vol 8 (2021)
A rapid response is necessary to contain emergent biological outbreaks before they can become pandemics. The novel coronavirus (SARS-CoV-2) that causes COVID-19 was first reported in December of 2019 in Wuhan, China and reached most corners of the gl
Externí odkaz:
https://doaj.org/article/d413250ed30f441981cd5475fb7487b8
Autor:
Garrett A. Stevenson, Dan Kirshner, Brian J. Bennion, Yue Yang, Xiaohua Zhang, Adam Zemla, Marisa W. Torres, Aidan Epstein, Derek Jones, Hyojin Kim, W. F. D. Bennett, Sergio E. Wong, Jonathan E. Allen, Felice C. Lightstone
Protein-ligand interactions are essential to drug discovery and drug development efforts. Desirable on-target or multi-target interactions are a first step in finding an effective therapeutic; undesirable off-target interactions are a first step in a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1cd0900d8164c3ed5ef91a42d184f67c
https://doi.org/10.1101/2023.05.11.538979
https://doi.org/10.1101/2023.05.11.538979
Autor:
Kevin S. McLoughlin, Da Shi, Jeffrey E. Mast, John Bucci, John P. Williams, W. Derek Jones, Derrick Miyao, Luke Nam, Heather L. Osswald, Lev Zegelman, Jonathan Allen, Brian J. Bennion, Amanda K. Paulson, Ruben Abagyan, Martha S. Head, James M. Brase
Generative molecular design (GMD) is an increasingly popular strategy for drug discovery, using machine learning models to propose, evaluate and optimize chemical structures against a set of target design criteria. We present the ATOM-GMD platform, a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::45cdcb6fae94d7e54a5b854991c78868
https://doi.org/10.1101/2023.02.14.528391
https://doi.org/10.1101/2023.02.14.528391
Autor:
Nicholas J. Bennion, Stefano Zappalá, Matthew Potts, Max Woolley, David Marshall, Sam L. Evans
Publikováno v:
Journal of The Royal Society Interface. 19
Computational modelling of the brain requires accurate representation of the tissues concerned. Mechanical testing has numerous challenges, in particular for low strain rates, like neurosurgery, where redistribution of fluid is biomechanically import
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::62e3174429c3853eaa46c68080675998
https://doi.org/10.1098/rsif.2022.0557
https://doi.org/10.1098/rsif.2022.0557
Autor:
Matthew R. Potts, Nicholas J. Bennion, Stefano Zappalá, David Marshall, Rob Harrison, Sam L. Evans
Publikováno v:
Journal of the Mechanical Behavior of Biomedical Materials. 140:105704
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2c69c4d8d9ed0620808c7888c98c64ae
https://doi.org/10.1016/j.jmbbm.2023.105704
https://doi.org/10.1016/j.jmbbm.2023.105704