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Theoretical and Computational Chemistry

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host–guest

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2 results in Keywords: host–guest

Theoretical and Computational Chemistry

Bind3P: Optimization of a Water Model with Host-Guest Binding Data

Jian Yin, Niel M. Henriksen, Hari S. Muddana, Michael K. Gilson

Version 2 posted 02 April 2018

1,032

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Theoretical and Computational Chemistry

Expanded ensemble predictions of absolute binding free energies in the SAMPL9 host--guest challenge

Matthew F. D. Hurley, Robert M. Raddi, Jason G. Pattis, Vincent Voelz

Version 1 posted 15 June 2023

210

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