Molecular recognition between receptors and ligands through non-covalent association plays a fundamental role in virtually all biochemical processes in living organisms. Several computational concepts have been devised to study protein-ligand binding. Utilizing experimental knowledge about actives for a target protein allows the reduction of ensemble members to a minimum of three protein structures, increasing enrichment quality and efficiency simultaneously. vs Markus Lill, Efficient incorporation of protein flexibility into protein-ligand docking.
Last date updated on April, 2021