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Andrew T. Fenley

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2010 – 2019

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2014
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Hari S. Muddana, Neil V. Sapra, Andrew T. Fenley, Michael K. Gilson:
The SAMPL4 hydration challenge: evaluation of partial charge sets with explicit-water molecular dynamics simulations. J. Comput. Aided Mol. Des. 28(3): 277-287 (2014)
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Hari S. Muddana, Andrew T. Fenley, David L. Mobley, Michael K. Gilson:
The SAMPL4 host-guest blind prediction challenge: an overview. J. Comput. Aided Mol. Des. 28(4): 305-317 (2014)
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Hari S. Muddana, Jian Yin, Neil V. Sapra, Andrew T. Fenley, Michael K. Gilson:
Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima method. J. Comput. Aided Mol. Des. 28(4): 463-474 (2014)

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