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International Journal of Molecular Sciences· 2016Q1· Review

Insights into Protein–Ligand Interactions: Mechanisms, Models, and Methods

Xing Du, Yi Li, Yuan-Ling Xia, Shi-Meng Ai et al.

Short summary

This review details the physicochemical mechanisms, three key binding models (lock-and-key, induced fit, conformational selection), and experimental/computational methods for studying protein-ligand interactions.

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Field: Computational Theory and Mathematics

Computational Theory and MathematicsComputer Science