Zobrazeno 1 - 10
of 77
pro vyhledávání: '"Christopher J Swain"'
Autor:
Alethea B. Tabor, Matthew H. Todd, Jonathan D. Wilden, H. Britton, Christopher J. Swain, Yuhang Wang, Bethanie A. Clent, Frank Otto
Publikováno v:
Journal of Chemical Education. 98:2899-2905
In response to the closure of many university laboratories due to the Covid-19 pandemic in 2020, a handbook and remote webinar approach designed to support students in the use of software tools for computer-aided drug design has been developed. Speci
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bb0f2a75904cc1374ed9550bd2ea0845
https://doi.org/10.1021/acs.jchemed.1c00289
https://doi.org/10.1021/acs.jchemed.1c00289
In November 2020 the Royal Society of Chemistry Chemical Information and Computer Applications interest group (RSC CICAG) ran a five-day meeting entitled Open Chemical Science (https://www.rsc.org/events/detail/42090/open-chemical-science). This even
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::020480d8e2472ac6e9a8562eb76abcc3
https://eprints.soton.ac.uk/471424/
https://eprints.soton.ac.uk/471424/
Autor:
Michael Robertson-Ralph, Mark G. Anderson, Corentin Bellanger, Brian Cox, Benoît Laleu, Luke D. Elliott, James Duffy, Jessica Hurcum, Christopher J. Swain, Victor Zdorichenko, Irene Hallyburton, Kevin I. Booker-Milburn, Stephen J. Bishop
Publikováno v:
ACS Medicinal Chemistry Letters. 11:2497-2503
We utilized synthetic photochemistry to generate novel sp3-rich scaffolds and report the design, synthesis, and biological testing of a diverse series of amides based on the 1-(amino-methyl)-2-benzyl-2-aza-bicyclo[2.1.1]hexane scaffold. Preliminary a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::750b0d9daefbce88109fcc1239babaa7
https://doi.org/10.1021/acsmedchemlett.0c00486
https://doi.org/10.1021/acsmedchemlett.0c00486
Autor:
P. Patrizia Mangione, Stéphanie Deroo, Stephan Ellmerich, Vittorio Bellotti, Simon Kolstoe, Stephen P. Wood, Carol V. Robinson, Martin D. Smith, Glenys A. Tennent, Robert J. Broadbridge, Claire E. Council, Joanne R. Thurston, Victoria A. Steadman, Antonio K. Vong, Christopher J. Swain, Mark B. Pepys, Graham W. Taylor
Publikováno v:
Open Biology, Vol 5, Iss 9 (2015)
Wild-type and variant forms of transthyretin (TTR), a normal plasma protein, are amyloidogenic and can be deposited in the tissues as amyloid fibrils causing acquired and hereditary systemic TTR amyloidosis, a debilitating and usually fatal disease.
Externí odkaz:
https://doaj.org/article/92a745814544494abf587c612d2605eb
Autor:
Jonathan Kirby, Christopher J. Swain
Publikováno v:
Geophysical Research Letters. 48
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5cc393dbbc739ab3f664753957ef525a
https://doi.org/10.1029/2020gl091576
https://doi.org/10.1029/2020gl091576
Publikováno v:
Encyclopedia of Solid Earth Geophysics ISBN: 9783030104757
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fb300603c01aae85c679e7bb02140908
https://doi.org/10.1007/978-3-030-58631-7_89
https://doi.org/10.1007/978-3-030-58631-7_89
Autor:
Brian, Cox, James, Duffy, Victor, Zdorichenko, Corentin, Bellanger, Jessica, Hurcum, Benoît, Laleu, Kevin I, Booker-Milburn, Luke D, Elliott, Michael, Robertson-Ralph, Christopher J, Swain, Stephen J, Bishop, Irene, Hallyburton, Mark, Anderson
Publikováno v:
ACS Med Chem Lett
[Image: see text] We utilized synthetic photochemistry to generate novel sp(3)-rich scaffolds and report the design, synthesis, and biological testing of a diverse series of amides based on the 1-(amino-methyl)-2-benzyl-2-aza-bicyclo[2.1.1]hexane sca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::02ed168d905815de51346f3bba23bd26
https://pubmed.ncbi.nlm.nih.gov/33335673
https://pubmed.ncbi.nlm.nih.gov/33335673
Publikováno v:
Jensen, J H, Swain, C J & Olsen, L 2017, ' Prediction of p K a values for druglike molecules using semiempirical quantum chemical methods ', Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol. 121, no. 3, pp. 699-707 . https://doi.org/10.1021/acs.jpca.6b10990
Rapid yet accurate pKa prediction for druglike molecules is a key challenge in computational chemistry. This study uses PM6-DH+/COSMO, PM6/COSMO, PM7/COSMO, PM3/COSMO, AM1/COSMO, PM3/SMD, AM1/SMD, and DFTB3/SMD to predict the pKa values of 53 amine g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::51106b4d671433808de0305cae161c5a
https://doi.org/10.1021/acs.jpca.6b10990
https://doi.org/10.1021/acs.jpca.6b10990
Publikováno v:
The journal of physical chemistry. A. 121(3)
Rapid yet accurate pK
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::41866cce189ea99b5089497f40647506
https://pubmed.ncbi.nlm.nih.gov/28054775
https://pubmed.ncbi.nlm.nih.gov/28054775
Autor:
Jon Kirby, Christopher J. Swain
Publikováno v:
Geophysical Journal International. 199:391-401
SUMMARY Recent studies have inferred patterns of rheological weakness in the lithosphere from analyses of the coherence between gravity and topography data, and related these to tectonic evolution andlithosphericrheology.Themethodsemployedallattemptt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9a3ad494612576cb06564614cee4c083
https://doi.org/10.1093/gji/ggu265
https://doi.org/10.1093/gji/ggu265