Calculated ligand–protein interaction energy for different states.
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https://figshare.com/articles/dataset/_Calculated_ligand_8211_protein_interaction_energy_for_different_states_/489432
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aData from published paper [47].
Calculated ligand–protein interaction energy (kcal/mol) for ligand–bound (LB) and ligand–bound–reference (LBR) complexes of tryptophan synthase (TRPS) dimeric and monomeric units. The simulation length used for the energy calculations for the LBR monomeric and dimeric units is ∼50 ns, while the ∼60-ns length trajectories have been used for the LB states.
创建时间：
2010-11-11
