Zobrazeno 1 - 10
of 37
pro vyhledávání: '"Christopher J. Woods"'
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-19 (2021)
Abstract Aurora kinase B plays an important role in the cell cycle to orchestrate the mitotic process. The amplification and overexpression of this kinase have been implicated in several human malignancies. Therefore, Aurora kinase B is a potential d
Externí odkaz:
https://doaj.org/article/bb75eda4ab704f4381e3015bca49cdde
Autor:
Léo Gorman, William J. Browne, Christopher J. Woods, Mark C. Eisler, Mark T. van Wijk, Andrew W. Dowsey, Jim Hammond
Publikováno v:
Frontiers in Sustainable Food Systems, Vol 5 (2021)
A systematic review of recent publications was conducted to assess the extent to which contemporary micro-level research on smallholders facilitates data re-use and knowledge synthesis. Following PRISMA standards for systematic review, 1,182 articles
Externí odkaz:
https://doaj.org/article/c850049b45954bc8b7725ad4451849fd
Autor:
Christopher J. Woods, Timothy Gallagher, Susan Wonnacott, Giovanni Ciccotti, Richard B. Sessions, Ana Sofia F Oliveira, Phil Bates, Adrian J. Mulholland, Christopher J. Edsall, Isabel Bermudez, Gerardo Viedma Nunez
Publikováno v:
Oliveira, A S F, Edsall, C J, Woods, C J, Bates, P, Nunez, G V, Wonnacott, S, Bermudez, I, Ciccotti, G, Gallagher, T, Sessions, R B & Mulholland, A J 2019, ' A General Mechanism for Signal Propagation in the Nicotinic Acetylcholine Receptor Family ', Journal of the American Chemical Society, vol. 141, no. 51, 51, pp. 19953-19958 . https://doi.org/10.1021/jacs.9b09055
Nicotinic acetylcholine receptors (nAChRs) modulate synaptic activity in the central nervous system. The α7 subtype, in particular, has attracted considerable interest in drug discovery as a target for several conditions, including Alzheimer's disea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6e409721e0554bddf3ef1c857441b86d
https://doi.org/10.1021/jacs.9b09055
https://doi.org/10.1021/jacs.9b09055
Autor:
Christopher J. Woods, Saad Raza, Adrian J. Mulholland, Syed Sikander Azam, Marc W. van der Kamp, Kara E. Ranaghan
Publikováno v:
Raza, S, Ranaghan, K, Van der Kamp, M, Woods, C, Mulholland, A & Azam, S S 2019, ' Visualizing protein–ligand binding with chemical energy-wise decomposition (CHEWD) : application to ligand binding in the kallikrein-8 S1 Site ', Journal of Computer-Aided Molecular Design, vol. 33, no. 5, pp. 461-475 . https://doi.org/10.1007/s10822-019-00200-4
Kallikrein-8, a serine protease, is a target for structure-based drug design due to its therapeutic potential in treating Alzheimer’s disease and is also useful as a biomarker in ovarian cancer. We present a binding assessment of ligands to kallikr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc6e47ad830ef5d355605da5b82415f7
https://doi.org/10.1007/s10822-019-00200-4
https://doi.org/10.1007/s10822-019-00200-4
Autor:
Kara E. Ranaghan, Christopher J. Woods, Roberta Minari, Marcello Tiseo, Alessio Lodola, Marco Mor, Donatella Callegari, Adrian J. Mulholland
Publikováno v:
Callegari, D, Ranaghan, K E, Woods, C J, Minari, R, Tiseo, M, Mor, M, Mulholland, A J & Lodola, A 2018, ' L718Q mutant EGFR escapes covalent inhibition by stabilizing a non-reactive conformation of the lung cancer drug osimertinib ', Chemical Science, vol. 9, no. 10, pp. 2740-2749 . https://doi.org/10.1039/c7sc04761d
Osimertinib is a third-generation inhibitor approved for the treatment of non-small cell lung cancer. It overcomes resistance to first-generation inhibitors by incorporating an acrylamide group which alkylates Cys797 of EGFR T790M. The mutation of a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a4577b461bf8710d004146ccfcb9f1e
https://doi.org/10.1039/c7sc04761d
https://doi.org/10.1039/c7sc04761d
Autor:
Véronique Josserand, Céline Terrat, Matthew Williams, Pascal Fender, Frederic Garzoni, Laurence Chaperot, Fruzsina Rabi, Emilie Stermann, Christopher J. Woods, Bernard Verrier, Joshua C. Bufton, Phil Bates, Gerardo Viedma, Mélanie Guidetti, Imre Berger, Charles Vragniau, Christiane Schaffitzel
Publikováno v:
Science Advances
Science Advances, American Association for the Advancement of Science (AAAS), 2019, 5 (9), pp.eaaw2853. ⟨10.1126/sciadv.aaw2853⟩
Science Advances, 2019, 5 (9), pp.eaaw2853. ⟨10.1126/sciadv.aaw2853⟩
Vragniau, C, Bufton, J C, Garzoni, F, Stermann, E, Rabi, F, Terrat, C, Guidetti, M, Josserand, V, Williams, M, Woods, C J, Viedma, G, Bates, P, Verrier, B, Chaperot, L, Schaffitzel, C, Berger, I & Fender, P 2019, ' Synthetic self-assembling ADDomer platform for highly efficient vaccination by genetically encoded multiepitope display ', Science Advances, vol. 5, no. 9, eaaw2853 . https://doi.org/10.1126/sciadv.aaw2853
Science Advances, American Association for the Advancement of Science (AAAS), 2019, 5 (9), pp.eaaw2853. ⟨10.1126/sciadv.aaw2853⟩
Science Advances, 2019, 5 (9), pp.eaaw2853. ⟨10.1126/sciadv.aaw2853⟩
Vragniau, C, Bufton, J C, Garzoni, F, Stermann, E, Rabi, F, Terrat, C, Guidetti, M, Josserand, V, Williams, M, Woods, C J, Viedma, G, Bates, P, Verrier, B, Chaperot, L, Schaffitzel, C, Berger, I & Fender, P 2019, ' Synthetic self-assembling ADDomer platform for highly efficient vaccination by genetically encoded multiepitope display ', Science Advances, vol. 5, no. 9, eaaw2853 . https://doi.org/10.1126/sciadv.aaw2853
ADDomer is a synthetic, self-assembling, virus-like particle platform that enables highly efficient vaccination.
Self-assembling virus-like particles represent highly attractive tools for developing next-generation vaccines and protein therapeut
Self-assembling virus-like particles represent highly attractive tools for developing next-generation vaccines and protein therapeut
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4aa7805a99c30018036acb2d535475a9
https://hal.archives-ouvertes.fr/hal-02333174/document
https://hal.archives-ouvertes.fr/hal-02333174/document
Autor:
Antonia S. J. S. Mey, Christopher J. Woods, Adrian J. Mulholland, Julien Michel, Gaetano Calabró, Francis Powlesland
Publikováno v:
Calabrò, G, Woods, C J, Powlesland, F, Mey, A S J S, Mulholland, A J & Michel, J 2016, ' Elucidation of Nonadditive Effects in Protein-Ligand Binding Energies : Thrombin as a Case Study ', Journal of Physical Chemistry B, vol. 120, no. 24, pp. 5340-5350 . https://doi.org/10.1021/acs.jpcb.6b03296
Calabrò, G, Woods, C J, Powlesland, F, Mey, A S J S, Mulholland, A J & Michel, J 2016, ' Elucidation of Nonadditive Effects in Protein–Ligand Binding Energies: Thrombin as a Case Study ', Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), vol. 120, no. 24, pp. 5340-5350 . https://doi.org/10.1021/acs.jpcb.6b03296
Calabrò, G, Woods, C J, Powlesland, F, Mey, A S J S, Mulholland, A J & Michel, J 2016, ' Elucidation of Nonadditive Effects in Protein–Ligand Binding Energies: Thrombin as a Case Study ', Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), vol. 120, no. 24, pp. 5340-5350 . https://doi.org/10.1021/acs.jpcb.6b03296
Accurate predictions of free energies of binding of ligands to proteins are challenging partly because of the nonadditivity of protein-ligand interactions; i.e., the free energy of binding is the sum of numerous enthalpic and entropic contributions t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::efeb179fd22e063d9198863fc30ef542
https://doi.org/10.1021/acs.jpcb.6b03296
https://doi.org/10.1021/acs.jpcb.6b03296
Publikováno v:
Loeffler, H H, Michel, J & Woods, C 2015, ' FESetup : Automating Setup for Alchemical Free Energy Simulations ', Journal of Chemical Information and Modeling, vol. 55, no. 12, pp. 2485-90 . https://doi.org/10.1021/acs.jcim.5b00368
FESetup is a new pipeline tool which can be used flexibly within larger workflows. The tool aims to support fast and easy setup of alchemical free energy simulations for molecular simulation packages such as AMBER, GROMACS, Sire, or NAMD. Post-proces
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::909285acd3550d12aaf4a3ee01291b45
https://doi.org/10.1021/acs.jcim.5b00368
https://doi.org/10.1021/acs.jcim.5b00368
In order to develop computational models of implanted constructs to predict prosthesis performance, robust experimental tests need to be devised. In the case of unicondylar knee arthroplasty (UKA), where uptake of the procedure has been relatively lo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80d280db84b5f936d12b8174b8e8229f
Publikováno v:
The Journal of Physical Chemistry B. 119:997-1001
The applicability of combined quantum mechanics/molecular mechanics (QM/MM) methods for the calculation of absolute binding free energies of conserved water molecules in protein/ligand complexes is demonstrated. Here, we apply QM/MM Monte Carlo simul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d07562826b43ea74092ae967193e6ed9
https://doi.org/10.1021/jp506413j
https://doi.org/10.1021/jp506413j