Sentence examples for ligand-protein docking from inspiring English sources

The accuracy of ligand-protein docking may be affected by the presence of water molecules on the surface of proteins.

Our findings indicate that the inclusion of water molecules in ligand-protein docking results in significant increases in docking accuracy when the use of quantum chemical partial charge assignment on both ligand and proteins for predicting the docking simulations.

Accurate calculation of protein surfaces is of critical importance in the protein structural and functional studies including ligand-protein docking and virtual screening.

ChooseLD is a profile-based ligand-protein docking affinity evaluation software.

For example, at least two companies offer KNIME nodes with ligand-protein docking functionalities (www.schrodinger.com/knimeworkflows, http://www.molsoft.com/gui/knime.html).html

To interrogate the basis of the specificity of 4-MDDT for AKR1C3, we performed ligand-protein docking calculations using our published AKR1C3 structure (Lovering et al, 2004).

Ligand protein docking simulations play a fundamental role in understanding molecular recognition.

Ligand and protein docking parameters were assigned using an AutoDock Tools program.

Protein-protein and protein-ligand docking are among the central topics in structural biology.

We will summarize the latest developments for our protein-ligand docking software PLANTS (Protein-Ligand ANT System) [1][2][3].

The models for cytoplasmic reactions [ 42- 45], DNA-protein binding [ 46, 47], protein-ligand docking [ 48, 49] and protein synthesis [ 50] have been reported separately.