Visualizing protein–ligand binding with chemical energy-wise decomposition (CHEWD): application to ligand binding in the kallikrein-8 S1 Site

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