Advances and Challenges in Protein-Ligand Docking
AbstractMolecular docking is a widely-used computational tool for the study of molecular recognition, which aims to predict the binding mode and binding affinity of a complex formed by two or more constituent molecules with known structures. An important type of molecular docking is protein-ligand docking because of its therapeutic applications in modern structure-based drug design. Here, we review the recent advances of protein flexibility, ligand sampling, and scoring functions—the three important aspects in protein-ligand docking. Challenges and possible future directions are discussed in the Conclusion.
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Huang, S.-Y.; Zou, X. Advances and Challenges in Protein-Ligand Docking. Int. J. Mol. Sci. 2010, 11, 3016-3034.
Huang S-Y, Zou X. Advances and Challenges in Protein-Ligand Docking. International Journal of Molecular Sciences. 2010; 11(8):3016-3034.Chicago/Turabian Style
Huang, Sheng-You; Zou, Xiaoqin. 2010. "Advances and Challenges in Protein-Ligand Docking." Int. J. Mol. Sci. 11, no. 8: 3016-3034.