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Biological and Medicinal Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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SAMPL6

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3 results in Keywords: SAMPL6

Theoretical and Computational Chemistry

Blinded Predictions of Standard Binding Free Energies: Lessons Learned from the SAMPL6 Challenge

Michail Papadourakis, Stefano Bosisio, Julien Michel

Version 2 posted 16 August 2018

774

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Theoretical and Computational Chemistry

SAMPL6 Challenge Results from pKa Predictions Based on a General Gaussian Process Model

Caitlin C. Bannan, David Mobley, A. Geoff Skillman

Version 2 posted 26 September 2018

1,045

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Physical Chemistry

SAMPL6 Host-Guest Binding Affinities and Binding Poses from Spherical-Coordinates-Biased Simulations

Zhaoxi Sun, Qiaole He, Xiao Li, Zhengdan Zhu

Version 2 posted 21 January 2020

781

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