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

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]

Abstract

Abstract is missing.