Zobrazeno 1 - 10
of 170
pro vyhledávání: '"Ian H. Williams"'
Autor:
Ian H. Williams, Philippe B. Wilson
Publikováno v:
SoftwareX, Vol 6, Iss , Pp 1-6 (2017)
Isotope effects are subtle but powerful probes of chemical reaction mechanisms and environmental conditions, with applications across chemical, biological and earth sciences. Their meaningful interpretation often relies on calculations based upon fun
Externí odkaz:
https://doaj.org/article/8f8d34e595f64363b3ad28b2fa7ba28b
Autor:
Darryl N. D’Souza, Bronwyn L. Blake, Ian H. Williams, Bruce P. Mullan, David W. Pethick, Frank R. Dunshea
Publikováno v:
Animals, Vol 5, Iss 4, Pp 1180-1191 (2015)
Forty crossbred (Large White × Landrace × Duroc) female pigs (16.4 kg ± 0.94 kg) were used to investigate the effect of dietary lecithin supplementation on growth performance and pork quality. Pigs were randomly allocated to a commercial diet cont
Externí odkaz:
https://doaj.org/article/550d13a44f204836a4c093a393d36b4c
Autor:
Ian H. Williams
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 6, Iss 1, Pp 1026-1034 (2010)
The key to understanding the fundamental processes of catalysis is the transition state (TS): indeed, catalysis is a transition-state molecular recognition event. Practical objectives, such as the design of TS analogues as potential drugs, or the des
Externí odkaz:
https://doaj.org/article/cf5c5a26e32647fbbb9a6c1ee0b07877
Autor:
Chiemela S. Odoemelam, Elena Hunter, John Simms, Zeeshan Ahmad, Ming-Wei Chang, Benita Percival, Ian H. Williams, Marco Molinari, Shina Caroline Lynn Kamerlin, Philippe B. Wilson
Publikováno v:
Applied Biosciences; Volume 1; Issue 2; Pages: 143-162
The glucagon-like peptide 1 receptor (GLP-1R) is a member of the family (or class) B G-protein-coupled receptor (GPCR). The receptor is a regulator of insulin and a key target in treating Type 2 diabetes mellitus. In this investigation, computational
Autor:
Charles L. Perrin, Israel Agranat, Alessandro Bagno, Silvia E. Braslavsky, Pedro Alexandrino Fernandes, Jean-François Gal, Guy C. Lloyd-Jones, Herbert Mayr, Joseph R. Murdoch, Norma Sbarbati Nudelman, Leo Radom, Zvi Rappoport, Marie-Françoise Ruasse, Hans-Ullrich Siehl, Yoshito Takeuchi, Thomas T. Tidwell, Einar Uggerud, Ian H. Williams
Publikováno v:
Pure and Applied Chemistry, vol 94, iss 4
Perrin, C L, Agranat, I, Bagno, A, Braslavsky, S E, Fernandes, P A, Gal, J, Lloyd-jones, G C, Mayr, H, Murdoch, J R, Nudelman, N S, Radom, L, Rappoport, Z, Ruasse, M, Siehl, H, Takeuchi, Y, Tidwell, T T, Uggerud, E & Williams, I H 2022, ' Glossary of terms used in physical organic chemistry (IUPAC Recommendations 2021) ', Pure and applied chemistry, vol. 94, no. 4, pp. 353-534 . https://doi.org/10.1515/pac-2018-1010
Perrin, C L, Agranat, I, Bagno, A, Braslavsky, S E, Fernandes, P A, Gal, J, Lloyd-jones, G C, Mayr, H, Murdoch, J R, Nudelman, N S, Radom, L, Rappoport, Z, Ruasse, M, Siehl, H, Takeuchi, Y, Tidwell, T T, Uggerud, E & Williams, I H 2022, ' Glossary of terms used in physical organic chemistry (IUPAC Recommendations 2021) ', Pure and applied chemistry, vol. 94, no. 4, pp. 353-534 . https://doi.org/10.1515/pac-2018-1010
This Glossary contains definitions, explanatory notes, and sources for terms used in physical organic chemistry. Its aim is to provide guidance on the terminology of physical organic chemistry, with a view to achieving a consensus on the meaning and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ca66ccc111e35a67246f5b9ec5ba0e8e
https://escholarship.org/uc/item/2rx9m9pg
https://escholarship.org/uc/item/2rx9m9pg
Publikováno v:
Repositori Universitat Jaume I
Universitat Jaume I
Universitat Jaume I
Isotope effects depend upon the polarity of the bulk medium in which a chemical process occurs. Implicit solvent calculations with molecule-shaped cavities show that the equilibrium isotope effect (EIE) for heterolysis of the glycosidic bonds in 5′
Publikováno v:
Glancy, J H, Lewis, M & Williams, I 2021, ' Computational exploration of α-lactone rearrangements and the cyclic halonium zwitterion from bromination of acrylate anion in water: implicit vs. explicit solvation ', Tetrahedron, vol. 84, 131989 . https://doi.org/10.1016/j.tet.2021.131989
In memory of Jonathan Williams, a valued colleague of incisive intellect (and regarded by undergraduates as ‘the better-looking Prof. Williams’ in the Department). Bromomethyloxiranone has a much larger repertoire of molecular acrobatics than pre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::42f63f580945a682767291425e48153e
https://purehost.bath.ac.uk/ws/files/219148229/Tetrahedron_revised_24Jan21.pdf
https://purehost.bath.ac.uk/ws/files/219148229/Tetrahedron_revised_24Jan21.pdf
Autor:
Philippe B. Wilson, Helen Wallis, Chiemela S. Odoemelam, Benita Percival, Ming Wei Chang, Emily Burton, Caroline Lynn Kamerlin, D.V. Scholey, Zeeshan Ahmad, Ian H. Williams
The G-protein coupled receptors (GPCRs) superfamily comprise similar proteins arranged into families or classes thus making it one of the largest in the mammalian genome. GPCRs take part in many vital physiological functions making them targets for n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4184df28b26bab2e47c16e3f0ba5b155
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-424376
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-424376
Publikováno v:
Repositori Universitat Jaume I
Universitat Jaume I
Universitat Jaume I
Anharmonic effects upon vibrational frequencies and isotopic partition function ratios are modelled computationally by means of quantum mechanics/molecular mechanics (QM/MM) methods for two systems. First, the methyl cation in explicit water is consi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fa52166bb35c6b45dbd9ab90bb982638
http://hdl.handle.net/10234/189962
http://hdl.handle.net/10234/189962
Autor:
Maite Roca, Ian H. Williams
Publikováno v:
Repositori Universitat Jaume I
Universitat Jaume I
Roca, M & Williams, I 2020, ' Transition-state vibrational analysis and isotope effects for COMT-catalyzed methyl transfer ', Journal of the American Chemical Society, vol. 142, no. 36, pp. 15548–15559 . https://doi.org/10.1021/jacs.0c07344
Journal of the American Chemical Society
Universitat Jaume I
Roca, M & Williams, I 2020, ' Transition-state vibrational analysis and isotope effects for COMT-catalyzed methyl transfer ', Journal of the American Chemical Society, vol. 142, no. 36, pp. 15548–15559 . https://doi.org/10.1021/jacs.0c07344
Journal of the American Chemical Society
Isotopic partition-function ratios (IPFRs) computed for transition structures (TSs) of the methyl-transfer reaction catalyzed by catechol O-methyltransferase and modelled by hybrid QM/MM methods are analyzed. The ability of smaller Hessians to reprod
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::65ba372dd00315caeb80c7abc13cb7c3
http://hdl.handle.net/10234/190067
http://hdl.handle.net/10234/190067