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Robert M. Raddi

3 results in Authors: Robert M. Raddi

Theoretical and Computational Chemistry

Expanded ensemble predictions of toluene--water partition coefficients in the SAMPL9 LogP challenge

Steven Goold, Robert M. Raddi, Vincent Voelz

Version 1 posted 21 September 2024

73

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Theoretical and Computational Chemistry

Model selection using replica averaging with Bayesian inference of conformational populations

Robert M. Raddi, Tim Marshall, Yunhui Ge, Vincent Voelz

Version 1 posted 16 August 2023

254

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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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