Side-Chain Conformation Induced Fit Effects of Ligands

Side-Chain Conformation Induced Fit Effects of Ligands 

Another alternative, ligand-steered homology modeling was recently introduced by Cavasotto et al. [19]. This method includes an extensive sampling of possible ligand orientations and conformations and side-chain conformations at the binding site. 

Structural similarity between the target and the template is considered to be the lowest in loop regions. These are usually less conserved parts of the protein, which makes their prediction extremely challenging [87]. Some loops are proved to play 

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