A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Predictions: New Opportunities and Challenges for Drug Discovery

Zhixiong Lin, Junjie Zou, Shuai Liu, Chunwang Peng, Zhipeng Li, Xiao Wan, Dong Fang, Jian Yin 0014, Gianpaolo Gobbo, Yongpan Chen, Jian Ma, Shuhao Wen, Peiyu Zhang, Mingjun Yang. A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Predictions: New Opportunities and Challenges for Drug Discovery. Journal of Chemical Information and Computer Sciences, 61(6):2720-2732, 2021. [doi]

Authors

Zhixiong Lin

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Junjie Zou

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Shuai Liu

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Chunwang Peng

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Zhipeng Li

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Xiao Wan

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Dong Fang

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Jian Yin 0014

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Gianpaolo Gobbo

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Yongpan Chen

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Jian Ma

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Shuhao Wen

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Peiyu Zhang

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Mingjun Yang

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