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G Protein-Coupled Receptors(GPCRs) · Free Energy Perturbation(FEP) · Relative Binding Free Energy Prediction

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1 results in Keywords: G Protein-Coupled Receptors(GPCRs) · Free Energy Perturbation(FEP) · Relative Binding Free Energy Prediction

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

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