Zobrazeno 1 - 10
of 31
pro vyhledávání: '"Simon P. Webb"'
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-7 (2023)
Abstract Molecular biology achieves control over complex reaction networks by means of molecular systems that translate a chemical input (such as ligand binding) into an orthogonal chemical output (such as acylation or phosphorylation). We present an
Externí odkaz:
https://doaj.org/article/87f1d19e01b74c12baba99b83d9d6b2e
Autor:
Dr. Natasha Eccles, Dr. Flavio della Sala, Dr. Bryden A. F. Le Bailly, Dr. George F. S. Whitehead, Prof. Jonathan Clayden, Dr. Simon J. Webb
Publikováno v:
ChemistryOpen, Vol 9, Iss 3, Pp 338-345 (2020)
Abstract Two α‐aminoisobutyric acid (Aib) foldamers bearing Zn(II)‐chelating N‐termini have been synthesized and compared with a reported Aib foldamer that has a bis(quinolinyl)/mono(pyridyl) cap (BQPA group). Replacement of the quinolinyl arm
Externí odkaz:
https://doaj.org/article/e32f05420de04e728089c033c321a052
Autor:
Catriona McCallion, Anna D. Peters, Andrew Booth, Karen Rees-Unwin, Julie Adams, Raisa Rahi, Alain Pluen, Claire V. Hutchinson, Simon J. Webb, John Burthem
Publikováno v:
Blood Advances, Vol 3, Iss 14, Pp 2069-2081 (2019)
Abstract: CXC chemokine receptor 4 (CXCR4) is overexpressed by a broad range of hematological disorders, and its interaction with CXC chemokine ligand 12 (CXCL12) is of central importance in the retention and chemoprotection of neoplastic cells in th
Externí odkaz:
https://doaj.org/article/2507d194e7a244fc8e6f2e80527f29d0
Autor:
Matthew Cummings, Anna D Peters, George F S Whitehead, Binuraj R K Menon, Jason Micklefield, Simon J Webb, Eriko Takano
Publikováno v:
PLoS Biology, Vol 17, Iss 7, p e3000347 (2019)
Polyketides are a class of specialised metabolites synthesised by both eukaryotes and prokaryotes. These chemically and structurally diverse molecules are heavily used in the clinic and include frontline antimicrobial and anticancer drugs such as ery
Externí odkaz:
https://doaj.org/article/970f16e4234c437a914e36237aa60a9b
Publikováno v:
Chemical science. 13(45)
Metalloproteins perform a diverse array of redox-related reactions facilitated by the increased chemical functionality afforded by their metallocofactors. Lytic polysaccharide monooxygenases (LPMOs) are a class of copper-dependent enzymes that are re
Autor:
Robert Šardzík, Gavin T. Noble, Martin J. Weissenborn, Andrew Martin, Simon J. Webb, Sabine L. Flitsch
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 6, Iss 1, Pp 699-703 (2010)
The synthesis of a number of aminoethyl glycosides of cell-surface carbohydrates, which are important intermediates for glycoarray synthesis, is described. A set of protocols was developed which provide these intermediates, in a short number of steps
Externí odkaz:
https://doaj.org/article/bb2d26b91a944e6fad871952ddf99b0d
Autor:
Peng Xu, Tosaporn Sattasathuchana, Hussna Yasini, Kilinoelani Montgomery, Iara F. M. Pedreira, Simon P. Webb, Mark S. Gordon, Emilie B. Guidez
Publikováno v:
J Chem Phys
A new method called QM-VM2 is presented that efficiently combines statistical mechanics with quantum mechanical (QM) energy potentials in order to calculate noncovalent binding free energies of host–guest systems. QM-VM2 efficiently couples the use
Publikováno v:
Journal of Chemical Theory and Computation. 6:3540-3557
We present the first application of the mining minima algorithm to protein-small molecule binding. This end-point approach use an empirical force field and implicit solvent models, treats the protein binding-site as fully flexible and estimates free
Autor:
Simon P. Webb
Publikováno v:
Theoretical Chemistry Accounts. 116:355-372
Hypocrellin and hypericin are naturally occurring polycyclic perylene quinones, and they have both been found to exhibit photoactivated antiviral and anticancer activity. One mode of action proposed involves excited-state hydrogen transfer. Consequen
Publikováno v:
Chemical Physics. 304:227-236
The current status of the recently developed nuclear–electronic orbital (NEO) approach is summarized, and the application of this approach to hydrogen tunneling systems is explored. In the NEO approach, specified nuclei are treated quantum mechanic