In this study, piperidine derivatives were designed as novel HSP70 inhibitors based on virtual fragment screening performed in Dock 4.0, Discovery Studio 2.5 and SYBYL 6.9.
This paper proposes novel Alzheimer's screening tests based on virtual environments and game principles using new immersive technologies combined with advanced Human Computer Interaction (HCI) systems.
Even the goggles themselves are based on virtual reality headsets.
This is based on multiple virtual screening experiments (e.g. docking, pharmacophore searching and binding free-energy calculations) and the development of an in vitro assay for ADP-RTs.
Based on the virtual screens, we purchased 306 compounds that were subjected to a kinetic assay.
The paper focuses on virtual screening methodologies.
Herein, this method reflected the compound's effects on the biological pathway and correlated to the phenotype data which could provide different opinions on pathway based virtual screening.
The contemporary standard approach for ligand-based virtual screening is based on a sequential screening pipeline which means that every compound of a given compound library has to be screened against a reference molecule.
In this paper, we report diverse small molecule inhibitors with a potential to attenuate cancer growth designed based on high-throughput virtual screening and docking using the crystal structure of SIRT1.
