Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Adrián Kalászi"'
Autor:
Anna Lovrics, Veronika F. S. Pape, Dániel Szisz, Adrián Kalászi, Petra Heffeter, Csaba Magyar, Gergely Szakács
Publikováno v:
Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-14 (2019)
Abstract Molecular descriptor (2D) and three dimensional (3D) shape based similarity methods are widely used in ligand based virtual drug design. In the present study pairwise structure comparisons among a set of 4858 DTP compounds tested in the NCI6
Externí odkaz:
https://doaj.org/article/aa863ee5b95f4114b029b4ff0539019e
Autor:
Veronika F.S. Pape, Dániel Szisz, Gergely Szakács, Adrián Kalászi, Anna Lovrics, Petra Heffeter, Csaba Magyar
Publikováno v:
Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-14 (2019)
Journal of Cheminformatics
Journal of Cheminformatics
Molecular descriptor (2D) and three dimensional (3D) shape based similarity methods are widely used in ligand based virtual drug design. In the present study pairwise structure comparisons among a set of 4858 DTP compounds tested in the NCI60 tumor c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d3e1455197e2545085926d95812587a3
http://link.springer.com/article/10.1186/s13321-019-0390-3
http://link.springer.com/article/10.1186/s13321-019-0390-3
Publikováno v:
Journal of Chemical Information and Modeling. 54:1036-1049
3D shape- or volume-based virtual screening is a broadly used approach in drug discovery. In recent years a large number of publications have appeared in which these tools were compared not only to competitive methods but to docking studies as well.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f92f53d131645041d1da6cf444db5064
https://doi.org/10.1021/ci400620f
https://doi.org/10.1021/ci400620f
Publikováno v:
Journal of Mathematical Chemistry. 45:598-606
The linear relationship is still the most important tool for establishing connection between correlating features, properties. The name “parameter-free linear relationship” (PFLR) stands for a new formalism, a generalized interpolation scheme, wh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::840e1c10b97ae6eaf47b81aabc42e1e5
https://doi.org/10.1007/s10910-008-9348-9
https://doi.org/10.1007/s10910-008-9348-9
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 823:16-27
Most of the drug molecules exhibit their biological activity through binding to the target protein. When the 3D structure of the binding site is unknown, pure ligand-based approaches are often used to perceive the 3D pharmacophore. However, dealing w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::237403aeee77738e7fff981efb6069f8
https://doi.org/10.1016/j.theochem.2007.08.016
https://doi.org/10.1016/j.theochem.2007.08.016
Autor:
Gábor Mezö, Orsolya Láng, Dezsö Gaál, Adrián Kalászi, Ágnes Hilbert, László Köhidai, Judit Reményi, Zsuzsa Majer, Ferenc Hudecz, Krisztina Barna
Publikováno v:
Biopolymers. 73:645-656
Sequential oligopeptides based on a pentapeptide (TKPKG) derived from tuftsin with different lengths were synthesized by stepwise solid phase methodology. These highly soluble oligomers were nontoxic on mouse spleen cells, and other biological data s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a5b6c966f0fe47151406c1960ffd554d
https://doi.org/10.1002/bip.20024
https://doi.org/10.1002/bip.20024
Autor:
Ödön Farkas, Adrián Kalászi
Publikováno v:
Journal of Molecular Structure: THEOCHEM. :645-649
Flexible molecules are not widely welcome as lead compounds, due to the unlikelihood of their specific activity. However, they may show some activity more easily. A library of flexible molecules can provide a wide range of different activities. We us
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::88225f77265e90e4d885e1abeec55d85
https://doi.org/10.1016/j.theochem.2003.08.089
https://doi.org/10.1016/j.theochem.2003.08.089
Autor:
András Perczel, Viktor Gergely, Olivér Éliás, András Czajlik, Ilona Hudáky, Joseph C.P Koo, Ödön Farkas, Barbara Láng, Tamás Tábi, Péter Hudáky, László Károlyházy, Ákos Rácz, Pál Tapolcsányi, Adrián Kalászi, Péter Mátyus, Gregory A. Chass, Judit Vaik, Balázs Balogh, István Bágyi, Zoltán Gáspári, Róbert Kiss, A. Szentesi, Gábor Krajsovszky, Katalin Keserû, Tamás Nagy
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 625:121-136
N-methylation is a naturally occurring modification in small peptides, e.g. antibiotics that can effect the conformational preferences of the molecule as well as the ease of trans to cis isomerization of the involved peptide bond. In the present expl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a3ff256d91f42bc4b37dea0b2cff5a93
https://doi.org/10.1016/s0166-1280(03)00009-5
https://doi.org/10.1016/s0166-1280(03)00009-5
Autor:
Kata Horváti, András Perczel, Marilena Manea, Adrián Kalászi, Anikó Horváth, Michael Przybylski, Gábor Mezö, Ödön Farkas, Ferenc Hudecz, Andrea Bodor
Publikováno v:
Journal of medicinal chemistry. 51(5)
Here we report on the synthesis, antibody binding, and QSAR studies of a series of linear and cyclic peptides containing a beta-amyloid plaque-specific epitope (Abeta(4-10); FRHDSGY). In these constructs, two or three alpha- l-Ala, alpha- d-Ala, or b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::79a9a39ca7ecac1312ec7370b9cdda6c
https://pubmed.ncbi.nlm.nih.gov/18284185
https://pubmed.ncbi.nlm.nih.gov/18284185
Autor:
Marilena Manea, Adrián Kalászi, Gábor Mező, Kata Horváti, Andrea Bodor, Anikó Horváth, Ödön Farkas, András Perczel, Michael Przybylski, Ferenc Hudecz
Publikováno v:
Journal of Medicinal Chemistry; Feb2008, Vol. 51 Issue 5, p1150-1161, 12p