Zobrazeno 1 - 10
of 105
pro vyhledávání: '"Marc W van der Kamp"'
Publikováno v:
PLoS ONE, Vol 10, Iss 8, p e0133372 (2015)
Large-scale conformational change is a common feature in the catalytic cycles of enzymes. Many enzymes function as homodimers with active sites that contain elements from both chains. Symmetric and anti-symmetric cooperative motions in homodimers can
Externí odkaz:
https://doaj.org/article/2a775d972a134ded8a22769c85988db8
Autor:
Helen M. Deeks, Kirill Zinovjev, Jonathan Barnoud, Adrian J. Mulholland, Marc W. van der Kamp, David R. Glowacki
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-9 (2023)
Abstract We describe a two-step approach for combining interactive molecular dynamics in virtual reality (iMD-VR) with free energy (FE) calculation to explore the dynamics of biological processes at the molecular level. We refer to this combined appr
Externí odkaz:
https://doaj.org/article/60f7f91f6cae4fdcb4ced23c5de8bc8f
Publikováno v:
PeerJ Physical Chemistry, Vol 2, p e8 (2020)
To assess the accuracy of different quantum mechanical methods for biochemical modeling, the reaction energies of 20 small model reactions (chosen to represent chemical steps catalyzed by commonly studied enzymes) were calculated. The methods tested
Externí odkaz:
https://doaj.org/article/e5e9a64ab99a4c4c8f84245bf73d461c
Autor:
Sarah A. Hindson, Rachael C. Andrews, Michael J. Danson, Marc W. van der Kamp, Amy E. Manley, Oliver B. Sutcliffe, Tom S. F. Haines, Tom P. Freeman, Jennifer Scott, Stephen M. Husbands, Ian S. Blagbrough, J. L. Ross Anderson, David R. Carbery, Christopher R. Pudney
Publikováno v:
The FEBS Journal.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::69651668a6e2c61d655cceedf45ebe22
https://doi.org/10.1111/febs.16741
https://doi.org/10.1111/febs.16741
Autor:
null Sarah A Hindson, null Rachael C Andrews, null Michael J Danson, null Marc W van der Kamp, null Amy E Manley, null Oliver B Sutcliffe, null Tom S F Haines, null Tom P Freeman, null Jennifer Scott, null Stephen M Husbands, null Ian S Blagbrough, null JL Ross Anderson, null David R Carbery, null Christopher R Pudney
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ec3150d3e81622ba4769c3da883a5143
https://doi.org/10.1111/febs.16741/v2/response1
https://doi.org/10.1111/febs.16741/v2/response1
Autor:
Andrew J. Devine, Alice E. Parnell, Catherine R. Back, Nicholas R. Lees, Samuel T. Johns, Ainul Z. Zulkepli, Rob Barringer, Katja Zorn, James E. M. Stach, Matthew P. Crump, Martin A. Hayes, Marc W. van der Kamp, Paul R. Race, Christine L. Willis
Publikováno v:
Angewandte Chemie. 135
Abyssomicin C and its atropisomer are potent inhibitors of bacterial folate metabolism. They possess complex polycyclic structures, and their biosynthesis has been shown to involve several unusual enzymatic transformations. Using a combination of syn
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::192ed9536efc507314b7a184d358c2a3
https://doi.org/10.1002/ange.202213053
https://doi.org/10.1002/ange.202213053
Autor:
Xinglong Zhang, Simon J. Bennie, Marc W. van der Kamp, David R. Glowacki, Frederick R. Manby, Adrian J. Mulholland
Publikováno v:
Royal Society Open Science, Vol 5, Iss 2 (2018)
The action of fluoroacetate as a broad-spectrum mammalian pesticide depends on the ‘lethal synthesis’ of fluorocitrate by citrate synthase, through a subtle enantioselective enolization of fluoroacetyl-coenzyme A. In this work, we demonstrate how
Externí odkaz:
https://doaj.org/article/81251584de704aba936d34c5844a54c7
Autor:
Sylvain F. Royer, Xuan Gao, Robin R. Groleau, Marc W. van der Kamp, Steven D. Bull, Michael J. Danson, Susan J. Crennell
Publikováno v:
Royer, S F, Gao, X, Groleau, R R, Van der Kamp, M W, Bull, S D, Danson, M J & Crennell, S J 2022, ' Structurally Informed Mutagenesis of a Stereochemically Promiscuous Aldolase Produces Mutants That Catalyze the Diastereoselective Syntheses of All Four Stereoisomers of 3-Deoxy-hexulosonic Acid ', ACS Catalysis, vol. 12, no. 18, pp. 11444–11455 . https://doi.org/10.1021/acscatal.2c03285
A 2-keto-3-deoxygluconate aldolase from the hyperthermophile Sulfolobus solfataricus catalyzes the nonstereoselective aldol reaction of pyruvate and d-glyceraldehyde to produce 2-keto-3-deoxygluconate (d-KDGlc) and 2-keto-3-deoxy-d-galactonate (d-KDG
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78b6d4c96ba3044184ff63ead2e5d7e5
https://hdl.handle.net/1983/d48d0d06-2953-4693-b20e-046ce97900d9
https://hdl.handle.net/1983/d48d0d06-2953-4693-b20e-046ce97900d9
Autor:
Rory M. Crean, Michal Biler, Marina Corbella, Ana R. Calixto, Marc W. van der Kamp, Alvan C. Hengge, Shina C. L. Kamerlin
Publikováno v:
Journal of the American Chemical Society. 144:10091-10093
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::10cc37853c8802a3c9e2441b1af774cc
https://doi.org/10.1021/jacs.2c04624
https://doi.org/10.1021/jacs.2c04624
Autor:
Ewa I. Chudyk, Michael Beer, Michael A. L. Limb, Charlotte A. Jones, James Spencer, Marc W. van der Kamp, Adrian J. Mulholland
Publikováno v:
Chudyk, E I, Beer, M, Limb, M A L, Jones, C, Spencer, J, Van der Kamp, M W & Mulholland, A J 2022, ' QM/MM Simulations Reveal the Determinants of Carbapenemase Activity in Class A β-lactamases ', ACS Infectious Diseases, vol. 8, no. 8, pp. 1521-1532 . https://doi.org/10.1021/acsinfecdis.2c00152
β-lactam antibiotic resistance in Gram-negative bacteria, primarily caused by β-lactamase enzymes that hydrolyze the β-lactam ring, has become a serious clinical problem. Carbapenems were formerly considered ‘last resort’ antibiotics because t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e1586a259c5749e9c0f7013765487cf
https://pubmed.ncbi.nlm.nih.gov/35877936
https://pubmed.ncbi.nlm.nih.gov/35877936