Implicit ligand theory for relative binding free energies: II. An estimator based on control variates
نویسندگان
چکیده
منابع مشابه
Implicit ligand theory: rigorous binding free energies and thermodynamic expectations from molecular docking.
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ژورنال
عنوان ژورنال: Journal of Physics Communications
سال: 2020
ISSN: 2399-6528
DOI: 10.1088/2399-6528/abcbac