Sentence examples similar to computer-aided drug design docking from inspiring English sources

Mechanistically, our result showed that YL529 downregulation of p-VEGFR-3 in HLECs cell in a dose-dependent manner, which is consistent with the computer-aided drug design (CADD) and molecular reverse docking results.

We have been able to identify 9 novel PTP1B inhibitors by means of a computer-aided drug design protocol involving virtual screening with docking simulations under consideration of the effects of ligand solvation in the binding free energy function.

We have been able to identify eight novel Cdc25B inhibitors by means of a computer-aided drug design protocol involving the virtual screening with docking simulations under consideration of the effects of ligand solvation in the binding free energy function.

Computational docking is the core process of computer-aided drug design (CADD); it aims at predicting the best orientation and conformation of a small molecule (drug ligand) when bound to a target large receptor molecule (protein) in order to form a stable complex molecule.

Recently computer-aided drug design by in silico computer aided drug design is being employed in rational drug discovery to understand the inhibitor-receptor interactions and predict the inhibitory activity of new compounds.

To inhibit the PDE5 activity, integrated computer-aided drug design technologies were utilized to generate pharmacophore modeling, database screening and docking methodologies.

Computer-aided drug design (CADD) technique is an aid to speed up the drug discovery process.

Taking advantage of recently identified substrate docking domains on ERK2, we have used computer-aided drug design (CADD) to identify novel low molecular weight compounds that interact with ERK2 in an ATP-independent manner and disrupt substrate-specific interactions.

Molecular docking is the most widely used method in modern computer-aided drug design, regardless of being used in virtual screen or lead optimization.

Molecular docking is a one of the key tools in computer-aided drug design that is mainly used in virtual screening of compound libraries and to study mechanism of ligand-target interaction.

Rapid advancing computational technologies have greatly speeded up the development of computer-aided drug design (CADD).