Sentence examples similar to molecular docking data from inspiring English sources
It executes/manages molecular docking data-intensive experiments for discovering novel drug targets using AutoDock and Auto Dock Vina, as they are the most popular and frequently used tools for docking.
Molecular docking and experimental data demonstrated that embelin is a potential inhibitor of TACE.
We illustrate this result by building a structural model of the heterodimer using molecular docking and the NMR data as restraints.
To illustrate the formation of the complex a 3D structural model of the heterodimer is built using molecular docking and the NMR data as restraints.
We generated molecular docking models of HDAC1-FK228 (data not shown) and HDAC1-FK-A11 complexes (Fig. 6).
In this article, we propose a context-based data preprocessing approach to mine data from molecular docking simulation results.
The performance of CEPGA is tested on sixteen molecular docking complexes from RCSB protein data bank.
To validate experimental biological data obtained, molecular docking study was carried out.
The effectiveness of those compounds was elucidated by both the experimental data and molecular docking simulations.
Based on the biological data and molecular docking, compound 19 is a potential FabH inhibitor and anti-inflammatory agent deserving further research.
Two-dimensional 1H-1H ROEspectralral data and molecular docking studies showed the modes of penetration of the aromatic rings from the wider rim side into the β-CD cavity.
