Comparison of three enveloping distribution sampling Hamiltonians for the estimation of multiple free energy differences from a single simulation
Christ, Clara D.
Gunsteren, Wilfred F. van
- Journal Article
Journal / seriesJournal of computational chemistry : organic - inorganic - physical - biological
Subjectfree energy calculations; importance sampling; ligand binding; cyclodextrin; enveloping distribution sampling; molecular simulation
Organisational unit03304 - Van Gunsteren, Wilfred F. (emeritus)
NotesReceived 15 January 2009, Revised 3 April 2009, Accepted 13 April 2009, Published online 5 June 2009.
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