Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Kaori Ueno-Noto"'
Publikováno v:
Bulletin of the Chemical Society of Japan; Jul2024, Vol. 97 Issue 7, p1-10, 10p
Publikováno v:
Chemical Physics Letters. 578:144-149
In HIV-1 infection, human antibody 2G12 is capable of recognizing the high-mannose glycans on the HIV-1 surface glycoprotein, gp120. To investigate the ligand binding mechanisms of antibody 2G12 with glycans aiming for the contribution to the medicat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8ff544f31490e23d29c1e0776b1faa41
https://doi.org/10.1016/j.cplett.2013.06.009
https://doi.org/10.1016/j.cplett.2013.06.009
Autor:
Keiko Takano, Kaori Ueno-Noto
Publikováno v:
Journal of computational chemistry. 37(26)
Water molecules inside biomolecules constitute integral parts of their structure and participate in the functions of the proteins. Some of the X-ray crystallographic data are insufficient for analyzing a series of ligand-protein complexes in the same
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5295ba0bbc9de3bb1084eb2785f90146
https://pubmed.ncbi.nlm.nih.gov/27388036
https://pubmed.ncbi.nlm.nih.gov/27388036
Autor:
Hirotoshi Mori, Kaori Ueno-Noto
Publikováno v:
The Journal of Physical Chemistry B. 115:4774-4780
The DNA-binding ability of the zinc-finger (ZF) protein and the modulation of its affinity to DNA through amino acid mutations were theoretically investigated. Classical molecular dynamics and energy decomposition analysis based on large-scale ab ini
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c86e34a6ad38316543cd8467c25db5b0
https://doi.org/10.1021/jp1097348
https://doi.org/10.1021/jp1097348
Autor:
Kaori Ueno-Noto, Eisaku Miyoshi, Takayuki Fujiwara, Takeshi Noro, You Osanai, Hirotoshi Mori, Mariusz Klobukowski
Publikováno v:
Chemical Physics Letters. 476:317-322
We have developed new relativistic model core potentials (MCPs) for the first-row transition-metal atoms from Sc to Zn, in which 3s and 3p electrons are treated explicitly together with the 3d and 4s electrons. By adding suitable correlating function
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0d7955ff449865f347b409bfdd5635d7
https://doi.org/10.1016/j.cplett.2009.06.019
https://doi.org/10.1016/j.cplett.2009.06.019
Autor:
Dennis S. Marynick, Kaori Ueno-Noto
Publikováno v:
Molecular Physics. 107:777-788
The mechanisms of matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) has been investigated by focusing on the interaction between MALDI matrices and several tripeptides. 2,5-dihyroxybenzoic acid, α-cyano-4-hydroxy-cinnamic acid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6d115b896d39af61e9b08fc900c5401b
https://doi.org/10.1080/00268970802637828
https://doi.org/10.1080/00268970802637828
Publikováno v:
Bulletin of the Chemical Society of Japan. 81:1062-1071
The solvation effect was considered in order to interpret the causative factors of the differences in gangliosides' inhibitory effects on CD38, an enzyme nicotinamide adenine dinucleotide (NAD) glycohydrolase, as well as the mechanisms by which the g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4268a4548bbe0f403e0fafe6e6481d04
https://doi.org/10.1246/bcsj.81.1062
https://doi.org/10.1246/bcsj.81.1062
Publikováno v:
The Journal of Physical Chemistry A. 109:1616-1620
The structures of (PbS)n (n = 1-9) clusters are investigated with density functional theory at the B3LYP level. Various pseudopotential basis sets on lead and the 6-31+G basis set on sulfur were employed. Full geometry optimization and extensive sear
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c44638a0431fd0fa8c38af1f407cc581
https://doi.org/10.1021/jp040457l
https://doi.org/10.1021/jp040457l
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 13:3441-3445
Three kinds of novel sulfated gangliosides structurally related to the Chol-1 (alpha-series) ganglioside GQ1balpha were synthesized. These sulfated gangliosides were potent inhibitors of NADase activity of leukocyte cell surface antigen CD38. Among t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8fe1a58375274012f5f6456d3851bfeb
https://doi.org/10.1016/s0960-894x(03)00741-8
https://doi.org/10.1016/s0960-894x(03)00741-8
Publikováno v:
Computational biology and chemistry. 49
In order to develop potential ligands to HIV-1 antibody 2G12 toward HIV-1 vaccine, binding mechanisms of the antibody 2G12 with the glycan ligand of D-mannose and D-fructose were theoretically examined. D-Fructose, whose molecular structure is slight
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9bfecc5324f93beb46dbb2bc0d04afca
https://pubmed.ncbi.nlm.nih.gov/24583603
https://pubmed.ncbi.nlm.nih.gov/24583603