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Absolute binding free energy calculations of CBClip host–guest systems in the SAMPL5 blind challenge
Lee, Juyong, Tofoleanu, Florentina, Pickard, Frank C., König, Gerhard, Huang, Jing, Damjanović, Ana, Baek, Minkyung, Seok, Chaok, Brooks, Bernard R.Volume:
31
Language:
english
Journal:
Journal of Computer-Aided Molecular Design
DOI:
10.1007/s10822-016-9968-2
Date:
January, 2017
File:
PDF, 1.91 MB
english, 2017