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"GPU-Accelerated Implementation of Continuous Constant pH Molecular ..."

Robert C. Harris, Jana Shen (2019)

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DOI: 10.1021/ACS.JCIM.9B00754

access: closed

type: Journal Article

metadata version: 2021-06-01

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Robert C. Harris, Jana Shen:
GPU-Accelerated Implementation of Continuous Constant pH Molecular Dynamics in Amber: pKa Predictions with Single-pH Simulations. J. Chem. Inf. Model. 59(11): 4821-4832 (2019)

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