Zobrazeno 1 - 10
of 172
pro vyhledávání: '"Jonathan W, Essex"'
Autor:
Mohamed Ahmed, Jared Mackenzie, Liku Tezera, Robert Krause, Barry Truebody, Diana Garay-Baquero, Andres Vallejo, Katya Govender, John Adamson, Hayden Fisher, Jonathan W. Essex, Salah Mansour, Paul Elkington, Adrie J. C. Steyn, Alasdair Leslie
Publikováno v:
Communications Biology, Vol 5, Iss 1, Pp 1-10 (2022)
Mycobacterium tuberculosis senses IFN-γ via the membrane protein MmpL10, which results in stimulation of bacterial respiration and virulence gene expression, worsens infection and paradoxically prevents the formation of isoniazid tolerant persisters
Externí odkaz:
https://doaj.org/article/46f025f3b82648ada03fe8702e70e007
Autor:
Mabel T. Y. Wong, Sebastian Kelm, Xiaofeng Liu, Richard D. Taylor, Terry Baker, Jonathan W. Essex
Publikováno v:
Frontiers in Immunology, Vol 13 (2022)
Externí odkaz:
https://doaj.org/article/9c003273c04047e885cde25b39cf0c43
Autor:
Mabel T. Y. Wong, Sebastian Kelm, Xiaofeng Liu, Richard D. Taylor, Terry Baker, Jonathan W. Essex
Publikováno v:
Frontiers in Immunology, Vol 13 (2022)
We have carried out a long-timescale simulation study on crystal structures of nine antibody-antigen pairs, in antigen-bound and antibody-only forms, using molecular dynamics with enhanced sampling and an explicit water model to explore interface con
Externí odkaz:
https://doaj.org/article/9c8442dbe84e4fc28e2f66dd4fdc1822
Autor:
João Morado, Paul N. Mortenson, J. Willem M. Nissink, Jonathan W. Essex, Chris-Kriton Skylaris
Publikováno v:
Journal of Chemical Information and Modeling. 63:2810-2827
Publikováno v:
Biochemical Society Transactions. 51:275-285
Antigen processing is an immunological mechanism by which intracellular peptides are transported to the cell surface while bound to Major Histocompatibility Complex molecules, where they can be surveyed by circulating CD8+ or CD4+ T-cells, potentiall
Publikováno v:
Journal of Computer-Aided Molecular Design. 36:767-779
Autor:
Miroslav Suruzhon, Khaled Abdel-Maksoud, Micheal S. Bodnarchuk, Antonella Ciancetta, Ian D. Wall, Jonathan W. Essex
Enhanced sampling algorithms are indispensable when working with highly-disconnected multimodal distributions. An important application of these is the conformational exploration of particular internal degrees of freedom of molecular systems. However
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::08afb10df9809364aa8ffc5651e06c56
Autor:
Xiaojie Yu, Christian M. Orr, H. T. Claude Chan, Sonya James, Christine A. Penfold, Jinny Kim, Tatyana Inzhelevskaya, C. Ian Mockridge, Kerry L. Cox, Jonathan W. Essex, Ivo Tews, Martin J. Glennie, Mark S. Cragg
Antibody responses during infection and vaccination typically undergo affinity maturation to achieve high-affinity binding for efficient neutralization of pathogens1,2. Similarly, high affinity is routinely the goal for therapeutic antibody generatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e3413a611d84ceac2eb9f01db8758a17
https://eprints.soton.ac.uk/475620/
https://eprints.soton.ac.uk/475620/
Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity
Autor:
Athina Konstantinidi, William F. DeGrado, Jessica L. Thomaston, Yanmei Hu, Hannah E. Bruce Macdonald, Marley L. Samways, Chunlong Ma, Jonathan W. Essex, Antonios Kolocouris, Jun Wang
Publikováno v:
Biochemistry
The influenza A M2 wild-type (WT) proton channel is the target of the anti-influenza drug rimantadine. Rimantadine has two enantiomers, though most investigations into drug binding and inhibition have used a racemic mixture. Solid-state NMR experimen
Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo
Publikováno v:
Journal of chemical theory and computation, vol 19, iss 3
Water molecules play a key role in many biomolecular systems, particularly when bound at protein-ligand interfaces. However, molecular simulation studies on such systems are hampered by the relatively long time scales over which water exchange betwee
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::29027c9c09b5a890381f15977f8abb22
https://escholarship.org/uc/item/6dh4436c
https://escholarship.org/uc/item/6dh4436c