Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Micael Jacobsson"'
Publikováno v:
Tetrahedron. 65:10047-10059
BACE-1 has emerged as one of the best characterized targets for future Alzheimer therapy. In accordance with the successful identification of masked inhibitors of HIV-1 protease, we envisioned ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c3e1e17362dcd2c510cc8e058364beac
https://doi.org/10.1016/j.tet.2009.09.106
https://doi.org/10.1016/j.tet.2009.09.106
Autor:
Micael Jacobsson, Chris Oostenbrink, Carmen Medina, Eva Stjernschantz, John Marelius, Nico P. E. Vermeulen
Publikováno v:
Journal of Chemical Information and Modeling, 46(5), 1972-83. American Chemical Society
Stjernschantz, E M, Marelius, J, Medina, C, Jacobsson, M, Vermeulen, N P E & Oostenbrink, C 2006, ' Are automated molecular dynamics simulations and binding free energy calculations realistic tools in lead optimization? An evaluation of the linear interaction energy (LIE) method ', Journal of Chemical Information and Modeling, vol. 46, no. 5, pp. 1972-83 . https://doi.org/10.1021/ci0601214
Stjernschantz, E M, Marelius, J, Medina, C, Jacobsson, M, Vermeulen, N P E & Oostenbrink, C 2006, ' Are automated molecular dynamics simulations and binding free energy calculations realistic tools in lead optimization? An evaluation of the linear interaction energy (LIE) method ', Journal of Chemical Information and Modeling, vol. 46, no. 5, pp. 1972-83 . https://doi.org/10.1021/ci0601214
An extensive evaluation of the linear interaction energy (LIE) method for the prediction of binding affinity of docked compounds has been performed, with an emphasis on its applicability in lead optimization. An automated setup is presented, which al
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::946855b5bd20827863970f12d470197c
https://doi.org/10.1021/ci0601214
https://doi.org/10.1021/ci0601214
Autor:
Micael Jacobsson, Anders Karlén
Publikováno v:
Journal of Chemical Information and Modeling. 46:1334-1343
A total of 945 known actives and roughly 10 000 decoy compounds were docked to eight different targets, and the resulting poses were scored using 10 different scoring functions. Three different score postprocessing methods were evaluated with respect
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cae2aad23e38fb64afe4bdc53e0756d8
https://doi.org/10.1021/ci050407t
https://doi.org/10.1021/ci050407t
Autor:
Terese Bergfors, Micael Jacobsson, T. Alwyn Jones, Torsten Unge, Anders Karlén, Annette K. Roos, Sherry L. Mowbray, C. Evalena Andersson
Publikováno v:
Journal of Molecular Biology. 335:799-809
Ribose-5-phosphate isomerases (EC 5.3.1.6) inter-convert ribose-5-phosphate and ribulose-5-phosphate. This reaction allows the synthesis of ribose from other sugars, as well a means for salvage of carbohydrates after nucleotide breakdown. Two unrelat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e7657a1fc3e18b021a985e5a44682e14
https://doi.org/10.1016/j.jmb.2003.11.021
https://doi.org/10.1016/j.jmb.2003.11.021
Autor:
Micael Jacobsson, Isabel Climent Johansson, Dan Hallén, Derek Ogg, Tove Östberg, Karin Stefansson, Kristina Zachrisson, Lena Jendeberg, Stefan Svensson, Carina Norström
Publikováno v:
The EMBO Journal. 22:4625-4633
The nuclear receptor heterodimers of liver X receptor (LXR) and retinoid X receptor (RXR) are key transcriptional regulators of genes involved in lipid homeostasis and inflammation. We report the crystal structure of the ligand-binding domains (LBDs)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::133f07c704136841554b4ff437818508
https://doi.org/10.1093/emboj/cdg456
https://doi.org/10.1093/emboj/cdg456
Publikováno v:
Journal of Biological Chemistry. 278:32313-32316
Collagens are extended trimeric proteins composed of the repetitive sequence glycine-X-Y. A collagen-related structural motif (CSM) containing glycine-X-Y repeats is also found in numerous proteins often referred to as collagen-like proteins. Little
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0db0131fe59df3d599a2461cdb52da68
https://doi.org/10.1074/jbc.m304709200
https://doi.org/10.1074/jbc.m304709200
Publikováno v:
Journal of medicinal chemistry. 51(9)
Seven novel binders, binding in the active site of Plasmodium falciparum spermidine synthase, were identified by structure-based virtual screening. The binding of these compounds was experimentally verified by NMR techniques. Spermidine synthase, an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::48227487ba24364e9d1f01149608a19d
https://pubmed.ncbi.nlm.nih.gov/18410081
https://pubmed.ncbi.nlm.nih.gov/18410081
Publikováno v:
Journal of medicinal chemistry. 46(26)
Three different multivariate statistical methods, PLS discriminant analysis, rule-based methods, and Bayesian classification, have been applied to multidimensional scoring data from four different target proteins: estrogen receptor alpha (ERalpha), m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2cfa133f4c0c5dd14dd13698bb2312a8
https://pubmed.ncbi.nlm.nih.gov/14667231
https://pubmed.ncbi.nlm.nih.gov/14667231
Autor:
Tove Östberg, Anneli Attersand, Lena Jendeberg, and Alexander Mata de Urquiza, Micael Jacobsson
Publikováno v:
Biochemistry. 42(21)
The steroid hormone (NR3) subfamily of nuclear receptors was until recently believed to be restricted to deuterostomes. However, a novel nuclear receptor belonging to the NR3 subfamily was recently identified in the Drosophila melanogaster genome, in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c7a69a0677ab49fafadbe55e01823ee
https://pubmed.ncbi.nlm.nih.gov/12767224
https://pubmed.ncbi.nlm.nih.gov/12767224
Publikováno v:
Journal of Medicinal Chemistry; Apr2008, Vol. 51 Issue 9, p2777-2786, 10p