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"The importance of protonation and tautomerization in relative binding ..."

Yuan Hu et al. (2016)

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DOI: 10.1007/S10822-016-9920-5

access: closed

type: Journal Article

metadata version: 2023-12-30

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  - https://dblp.org/rec/journals/jcamd/HuSLCYG16
Yuan Hu, Brad Sherborne, Tai-Sung Lee, David A. Case, Darrin M. York, Zhuyan Guo:
The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEP. J. Comput. Aided Mol. Des. 30(7): 533-539 (2016)

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