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Yuan Hu 0002

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affiliation: Alkermes Inc., Waltham, MA, USA
affiliation: Merck Research Laboratories, Kenilworth, NJ, USA

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2020 – today

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2022
[j4]
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Yuan Hu, Ingo Muegge:
In Silico Positional Analogue Scanning with Amber GPU-TI. J. Chem. Inf. Model. 62(18): 4448-4459 (2022)

2010 – 2019

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2018
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Xavier Fradera, Andreas Verras, Yuan Hu, Deping Wang, Hongwu Wang, James I. Fells, Kira A. Armacost, Alejandro Crespo, Brad Sherborne, Huijun Wang, Zhengwei Peng, Ying-Duo Gao:
Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016. J. Comput. Aided Mol. Des. 32(1): 113-127 (2018)
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Ying-Duo Gao, Yuan Hu, Alejandro Crespo, Deping Wang, Kira A. Armacost, James I. Fells, Xavier Fradera, Hongwu Wang, Huijun Wang, Brad Sherborne, Andreas Verras, Zhengwei Peng:
Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort. J. Comput. Aided Mol. Des. 32(1): 129-142 (2018)
2016
[j1]
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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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