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Exploring the role of receptor flexibility in structure-based drug discovery
2014
Biophysical Chemistry
Receptor flexibility plays a key role in structure-based drug design. • Receptor ensemble-based methods improve predictive power of virtual screening. • MD and enhanced sampling techniques are useful tools to explore conformational space. The proper understanding of biomolecular recognition mechanisms that take place in a drug target is of paramount importance to improve the efficiency of drug discovery and development. The intrinsic dynamic character of proteins has a strong influence on
doi:10.1016/j.bpc.2013.10.007
pmid:24332165
pmcid:PMC4459653
fatcat:k5dm4dqyxvga7iqm7guybp5okm