Computation of relative binding free energy for an inhibitor and its analogs binding with erk kinase using thermodynamic integration md simulation

Kuan Wei Wu, Po Chin Chen, Jun Wang, Ying Chieh Sun*

*此作品的通信作者

研究成果: 雜誌貢獻期刊論文同行評審

23 引文 斯高帕斯(Scopus)

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INIS

Physics

Chemistry