Ligand binding free-energy calculations with funnel metadynamics
Author:
Publisher
Springer Science and Business Media LLC
Subject
General Biochemistry, Genetics and Molecular Biology
Link
https://www.nature.com/articles/s41596-020-0342-4.pdf
Reference83 articles.
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4. Limongelli, V. Ligand binding free energy and kinetics calculations in 2020. WIREs Comp. Mol. Sci. 10, e1455 (2020).
5. Limongelli, V., Bonomi, M. & Parrinello, M. Funnel-metadynamics as accurate binding free-energy method. Proc. Natl Acad. Soc. USA 110, 6358–6363 (2013).
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