Sentence examples for ligand docking from inspiring English sources

Computational models of protein folding and ligand docking are large and complex.

Michino, M. et al. Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008.

The problems of protein folding and ligand docking have been explored largely using molecular dynamics or Monte Carlo methods.

The binding mode of the fragments was explored using QM-polarized ligand docking.

Ligand docking experiments were employed to gain information about residues involved in proline binding.

In Mb and copper-free CuBMb, primary and secondary ligand docking sites are accessible upon photodissociation.

This interest includes predicting the structure and function of molecules from their primary sequence, predicting function from structure and finally simulating protein folding and protein-ligand docking.

Hence, recognition of halogen bonding will be implemented soon into protein-ligand docking and scoring.

The range of applications available encompasses quantum chemistry, molecular dynamics, and protein-ligand docking codes.

It does however limit the relevance of the amide flips to protein-ligand docking.

ParaDockS includes algorithms for protein-ligand docking and is organized that every newly developed scoring function can be immediately implemented.