Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Chemical energy-wise decomposition"'
Autor:
Raza, Saad1,2, Ranaghan, Kara E.2, van der Kamp, Marc W.2,3,4, Woods, Christopher J.2,4, Mulholland, Adrian J.2,4 adrian.mulholland@bristol.ac.uk, Azam, Syed Sikander1 syedazam2008@gmail.com
Publikováno v:
Journal of Computer-Aided Molecular Design. May2019, Vol. 33 Issue 5, p461-475. 15p.
Autor:
Christopher J. Woods, Saad Raza, Adrian J. Mulholland, Syed Sikander Azam, Marc W. van der Kamp, Kara E. Ranaghan
Publikováno v:
Raza, S, Ranaghan, K, Van der Kamp, M, Woods, C, Mulholland, A & Azam, S S 2019, ' Visualizing protein–ligand binding with chemical energy-wise decomposition (CHEWD) : application to ligand binding in the kallikrein-8 S1 Site ', Journal of Computer-Aided Molecular Design, vol. 33, no. 5, pp. 461-475 . https://doi.org/10.1007/s10822-019-00200-4
Kallikrein-8, a serine protease, is a target for structure-based drug design due to its therapeutic potential in treating Alzheimer’s disease and is also useful as a biomarker in ovarian cancer. We present a binding assessment of ligands to kallikr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc6e47ad830ef5d355605da5b82415f7
https://doi.org/10.1007/s10822-019-00200-4
https://doi.org/10.1007/s10822-019-00200-4
Autor:
Paes, Steven Souza1 (AUTHOR), Silva-Silva, João Victor2,3 (AUTHOR) calabrese@ioc.fiocruz.br, Portal Gomes, Paulo Wender4 (AUTHOR), Silva, Luely Oliveira da5 (AUTHOR), Costa, Ana Paula Lima da1 (AUTHOR), Lopes Júnior, Manoel Leão1 (AUTHOR), Hardoim, Daiana de Jesus2 (AUTHOR), Moragas-Tellis, Carla J.6 (AUTHOR), Taniwaki, Noemi Nosomi7 (AUTHOR), Bertho, Alvaro Luiz8,9 (AUTHOR) alvaro.bertho@ioc.fiocruz.br, Molfetta, Fábio Alberto de10 (AUTHOR) fabioam@ufpa.br, Almeida-Souza, Fernando2,11 (AUTHOR) fernandoalsouza@gmail.com, Santos, Lourivaldo Silva1 (AUTHOR) fernandoalsouza@gmail.com, Calabrese, Kátia da Silva2 (AUTHOR)
Publikováno v:
Pharmaceutics. Sep2023, Vol. 15 Issue 9, p2292. 23p.
Autor:
Ashraf, Sajda1,2 (AUTHOR), Ranaghan, Kara E.2 (AUTHOR), Woods, Christopher J.2 (AUTHOR), Mulholland, Adrian J.2 (AUTHOR) adrian.mulholland@bristol.ac.uk, Ul-Haq, Zaheer1 (AUTHOR) zaheer.qasmi@iccs.edu
Publikováno v:
Scientific Reports. 9/21/2021, Vol. 11 Issue 1, p1-19. 19p.
Publikováno v:
Journal of Biomolecular Structure & Dynamics; Mar2023, Vol. 41 Issue 5, p1715-1729, 15p
Autor:
Correia, Lenir C., Ferreira, Jaderson V., de Lima, Henrique B., Silva, Guilherme M., da Silva, Carlos H. T. P., de Molfetta, Fábio A., Hage-Melim, Lorane I. S.
Publikováno v:
Journal of Molecular Modeling; 9/1/2022, Vol. 28 Issue 9, p1-26, 26p
Autor:
Javier, Garcia-Marin
Publikováno v:
Journal of Biomolecular Structure & Dynamics; Sep2021, Vol. 39 Issue 15, p5399-5410, 12p
Publikováno v:
Proteins; Sep2020, Vol. 88 Issue 9, p1207-1225, 19p
Autor:
Pestana-Nobles, Roberto1 (AUTHOR) roberto.pestana@unisimon.edu.co, Aranguren-Díaz, Yani1 (AUTHOR) yani.aranguren@unisimonbolivar.edu.co, Machado-Sierra, Elwi1 (AUTHOR) elwi.machado@unisimonbolivar.edu.co, Yosa, Juvenal1 (AUTHOR) juvenal.yosa@unisimonbolivar.edu.co, Galan-Freyle, Nataly J.1 (AUTHOR) nataly.galan@unisimonbolivar.edu.co, Sepulveda-Montaño, Laura X.2 (AUTHOR) lsepcl1@lsu.edu, Kuroda, Daniel G.2 (AUTHOR) dkuroda@lsu.edu, Pacheco-Londoño, Leonardo C.1 (AUTHOR) leonardo.pacheco@unisimonbolivar.edu.co
Publikováno v:
International Journal of Molecular Sciences. Feb2022, Vol. 23 Issue 3, p1630-N.PAG. 1p.
Autor:
Kiani, Yusra Sajid1 (AUTHOR), Ranaghan, Kara E.2 (AUTHOR), Jabeen, Ishrat1 (AUTHOR) ishrat.jabeen@rcms.nust.edu.pk, Mulholland, Adrian J.2 (AUTHOR) ishrat.jabeen@rcms.nust.edu.pk
Publikováno v:
International Journal of Molecular Sciences. Sep2019, Vol. 20 Issue 18, p4468-4468. 1p. 2 Diagrams, 2 Charts, 3 Graphs.