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Organic Chemistry

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blind challenge

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4 results in Keywords: blind challenge

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

997

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Theoretical and Computational Chemistry

SAMPL7 Host-Guest Challenge Overview: Assessing the reliability of polarizable and non-polarizable methods for binding free energy calculations

Martin Amezcua, Léa El Khoury, David Mobley

Version 2 posted 17 November 2020

965

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1

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Physical Chemistry

Setting up the HyDRA blind challenge for the microhydration of organic molecules

Taija Lena Fischer, Margarethe Bödecker, Anne Zehnacker-Rentien, Ricardo A. Mata, Martin A. Suhm

Version 1 posted 20 September 2021

466

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1

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Physical Chemistry

The SAMPL9 Host-Guest Blind Challenge: An Overview of Binding Free Energy Predictive Accuracy

Martin Amezcua, Jeffry Setiadi, David L. Mobley

Version 1 posted 02 November 2023

325

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1

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