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Theoretical and Computational Chemistry

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Maohua Yang

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Theoretical and Computational Chemistry

Uni-GBSA: An Automatic Workflow to Perform MM/GB(PB)SA Calculations for Virtual Screening

Maohua Yang, Dongdong Wang, Hang Zheng

Version 1 posted 29 September 2022

584

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1

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Theoretical and Computational Chemistry

A Benchmark for Accurate GPCR Ligand Binding Affinity Prediction with Free Energy Perturbation

Yu Guo, Yu Zhou, Qinru Bai, Zonghua Bo, Ke Song, Junhan Chang, Yuzhi Zhang, Maohua Yang, Yuqin Deng, Dongdong Wang

Version 1 posted 20 September 2023

850

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