Sentence examples for molecular docking to from inspiring English sources

Herein, we performed molecular docking to identify putative inhibitors of Acinetobacter baumannii MurF (AbMurF).

Virtual screening was performed based on pharmacophore modeling and molecular docking to identify the new inhibitors from ZINC database.

Here, we combined 3D-QSAR with side-chain hopping and molecular docking to produce novel structures as endonuclease inhibitors.

All amino acids were placed at the X and Y to conduct molecular docking to the integrin αIIbβ3.

We adopted the strategies of pharmacophore building, virtual screening and molecular docking to identify the small molecules capable to target AKAP-Lbc and RhoA interactions.

The interaction of DPO derivatives with mannitol dehydrogenase (MDH) or extracellular DNA (eDNA) in the biofilm was simulated by molecular docking to reveal possible mechanism.

The purpose of this study was to apply molecular docking techniques to identify STAT3 inhibitors from a database of over 90 000 natural product and natural product-like compounds.

The screened hits were then subjected to the ADME/T and molecular docking study to prioritise the compounds.

Methods: We used fluorescence probe displacement studies and molecular docking simulations to characterize the binding of PCB sulfates to TTR.

We also describe the use of molecular docking studies to explore the binding interactions of the other 5 related HDACi.

The process of molecular docking is to search conformations of the proteins and the ligands with lowest energy.