Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein-Ligand Binding Affinities

Ercheng Wang, Hui Liu, Junmei Wang, Gaoqi Weng, Huiyong Sun, Zhe Wang, Yu Kang, Tingjun Hou. Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein-Ligand Binding Affinities. Journal of Chemical Information and Computer Sciences, 60(11):5353-5365, 2020. [doi]

Authors

Ercheng Wang

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Hui Liu

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Junmei Wang

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Gaoqi Weng

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Huiyong Sun

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Zhe Wang

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Yu Kang

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Tingjun Hou

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