The concept of privileged structures/substructures (PS) is the idea that certain structural features produce biological effects more often than others. The PS method can be seen as …
Background G protein-coupled receptors (GPCRs) represent a family of well-characterized drug targets with significant therapeutic value. Phylogenetic classifications may help to …
In this study, we conducted frequent substructure mining to identify structural features that discriminate between ligands that do bind to G protein-coupled receptors (GPCRs) and …
R Ayed, MS Hacid, R Haque, A Jemai - Journal of Intelligent Information …, 2020 - Springer
Frequent subgraph mining algorithms are widely used in various areas for information analysis. As yet, a handful of algorithms have been proposed and defined in the literature …
C Sheng, G Dong, C Wang - Computer-Aided Drug Discovery, 2016 - Springer
Fragment-based drug design (FBDD) is a promising approach for drug discovery. Experimental FBDD faces some intrinsic limitations and challenges such as the high …
G protein-coupled receptors (GPCRs) represent a family of well-characterized drug targets with significant therapeutic value. Phylogenetic classifications may help to understand the …
AF Vásquez Jiménez - 2020 - repositorio.uniandes.edu.co
The discovery of new and better drugs is a costly and slow process in which the identification of optimal preclinical candidates is often a difficult task. To overcome this …
Celem niniejszej pracy było projektowanie oraz synteza nowych tiosemikarbazonów o potencjalnych właściwościach przeciwnowotworowych, przeciwbakteryjnych i …
G protein-coupled receptors (GPCRs) represent a family of well-characterized drug targets with significant therapeutic value. Phylogenetic classifications may help to understand the …