Presentation Information
[A-102P]Free Energy Calculation Method Based on Enhanced Sampling of Diverse Protein Conformations Predicted by AI models
○Toma Aoki1, Ryuhei Harada2 (1. School of Life and Environmental Sciences, University of Tsukuba, 2. Center for Computational Sciences, University of Tsukuba)
Keywords:
proteins,free-energy landscapes,artificial intelligence,molecular dynamics simulations,enhanced sampling