Výsledky vyhledávání - "Mohamed Ali Al-Badri"

Dyad orientation-dependent regulation of SARS-CoV 2 protease: towards informed structure-based drug discovery

Autor: Khaled Abdel-Maksoud, Mohamed Ali al-Badri, Christian Lorenz, Jonathan Essex

NOTE - A significant portion of the text from this preprint is drawn from a previous submission (https://doi.org/10.26434/chemrxiv.12967655.v2). This is a later version of the previous submission with a new title and updated results. The Coronavirus

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9e739b8fe75ef2e2b0555a0c1a9aa10c
https://doi.org/10.26434/chemrxiv-2022-d6b0w

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Accurate large scale modelling of graphene oxide: Ion trapping and chaotropic potential at the interface

Autor: Robert C. Sinclair, Paul Smith, Khuloud T. Al-Jamal, Mohamed Ali al-Badri, Christian D. Lorenz

Publikováno v: Carbon. 174:266-275

Graphene oxide (GO) shares many novel mechanical and electronic properties with graphene and has been applied extensively for uses in physics, engineering and medicine. Computational simulations of GO have widely neglected accurate characterisation b

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4728505dce905467ce9fd03540f0cc2f
https://doi.org/10.1016/j.carbon.2020.12.032

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Superexchange mechanism and quantum many body excitations in the archetypal di-Cu oxo-bridge

Autor: Edward Linscott, Cedric Weber, Antoine Georges, Daniel J. Cole, Mohamed Ali al-Badri

Publikováno v: al-Badri, M A, Linscott, E, Georges, A, Cole, D J & Weber, C 2020, ' Superexchange mechanism and quantum many body excitations in the archetypal di-Cu oxo-bridge ', Communications Physics, vol. 3, no. 1, 4 . https://doi.org/10.1038/s42005-019-0270-1
Communications Physics, Vol 3, Iss 1, Pp 1-8 (2020)

The hemocyanin protein binds and transports molecular oxygen via two copper atoms at its core. The singlet state of the $${{\rm{Cu}}}_{2}{{\rm{O}}}_{2}$$ Cu 2 O 2 core is thought to be stabilised by a superexchange pathway, but detailed in situ compu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::18c45ae0108d63a4e33460a8cedee335
https://kclpure.kcl.ac.uk/ws/files/123115695/Superexchange_mechanism_and_quantum_AL_BADRI_Accepted26November2019Publishedonline13January2020_GOLD_VoR_CC_BY_.pdf

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Allosteric Regulation of SARS-CoV-2 Protease: Towards Informed Structure-Based Drug Discovery

Autor: AlessanRSS Reis, Khaled Abdel-Maksoud, Mohamed Ali Al-Badri, Jonathan Essex

The Coronavirus Disease of 2019 (COVID-19) is caused by a novel coronavirus known as the Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2). Despite extensive research since the outset of the pandemic, definitive therapeutic agents for the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::08f49032c7aa62aaf9564e1e6cf2c6e5
https://doi.org/10.26434/chemrxiv.12967655.v2

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Allosteric Regulation of SARS-CoV-2 Protease: Towards Informed Structure-Based Drug Discovery

Autor: Khaled Abdel-Maksoud, Mohamed Ali al-Badri, Christian Lorenz, Jonathan W. Essex

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::24e9aa354a957a1b18feccc8d17dca50
https://doi.org/10.26434/chemrxiv.12967655

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On the solvation of the phosphocholine headgroup in an aqueous propylene glycol solution

Autor: Richard J. Gillams, Mohamed Ali al-Badri, Sylvia E. McLain, Christian D. Lorenz, Robert M. Ziolek, Natasha H. Rhys, Louise Collins, M. Jayne Lawrence

Publikováno v: Rhys, N H, Al-Badri, M A, Ziolek, R M, Gillams, R J, Collins, L E, Lawrence, M J, Lorenz, C D & McLain, S E 2018, ' On the solvation of the phosphocholine headgroup in an aqueous propylene glycol solution ', Journal of Chemical Physics, vol. 148, no. 13, 135102, pp. 135102-1-135102-13 . https://doi.org/10.1063/1.5024850
Rhys, N H, Al-Badri, M A, Ziolek, R M, Gillams, R J, Collins, L E, Lawrence, M, Lorenz, C D & McLain, S E 2018, ' On the solvation of the phosphocholine headgroup in an aqueous propylene glycol solution ', The Journal of chemical physics . https://doi.org/10.1063/1.5024850

The atomic-scale structure of the phosphocholine (PC) headgroup in 30 mol. % propylene glycol (PG) in an aqueous solution has been investigated using a combination of neutron diffraction with isotopic substitution experiments and computer simulation

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7555083f0d291739295b0bc43846fa55
https://ora.ox.ac.uk/objects/uuid:4ac8e7d9-08e6-4be6-bc5e-d793127d90d2

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