Multiscale Free Energy Simulations: An Efficient Method for Connecting Classical MD Simulations to QM or QM/MM Free Energies Using Non-Boltzmann Bennett Reweighting Schemes. [electronic resource]
Publication details: Journal of chemical theory and computation Apr 2014Description: 1406-1419 p. digitalISSN:- 1549-9626
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Publication Type: Journal Article
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