Free Energy Landscape and Markov State Model Analyses as Benchmarks for Molecular Dynamics Large Language Models of Protein-Ligand Interactions - researchr publication authors

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Jung-Hsin Lin, Yu-Hsaun Chen, Han Cheng. Free Energy Landscape and Markov State Model Analyses as Benchmarks for Molecular Dynamics Large Language Models of Protein-Ligand Interactions. In 27th International Symposium on Symbolic and Numeric Algorithms for Scientific Computing, SYNASC 2025, Timisoara, Romania, September 22-25, 2025. pages 401-408, IEEE, 2025. [doi]

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