| Differences in ligand-induced protein dynamics extracted from an unsupervised deep learning approach correlate with protein–ligand binding affinities I Yasuda, K Endo, E Yamamoto, Y Hirano, K Yasuoka Communications biology 5 (1), 481, 2022 | 18 | 2022 |
| Combining Molecular Dynamics and Machine Learning to Analyze Shear Thinning for Alkane and Globular Lubricants in the Low Shear Regime I Yasuda, Y Kobayashi, K Endo, Y Hayakawa, K Fujiwara, K Yajima, ... ACS Applied Materials & Interfaces 15 (6), 8567-8578, 2023 | 5* | 2023 |
| Graph-Neural-Network-Based Unsupervised Learning of the Temporal Similarity of Structural Features Observed in Molecular Dynamics Simulations S Ishiai, I Yasuda, K Endo, K Yasuoka Journal of chemical theory and computation 20 (2), 819-831, 2024 | 2 | 2024 |
| Relation in ligand dynamics and protein mutation using unsupervised machine learning I Yasuda, K Endo, Y Hirano, E Yamamoto, K Yasuoka Biophysical Journal 122 (3), 182a, 2023 | 1 | 2023 |
| Unsupervised deep learning for molecular dynamics simulations: a novel analysis of protein–ligand interactions in SARS-CoV-2 M pro J Mustali, I Yasuda, Y Hirano, K Yasuoka, A Gautieri, N Arai RSC advances 13 (48), 34249-34261, 2023 | | 2023 |
Kenji YasuokaProfessor of Mechanical Engineering, Keio University確認したメール アドレス: mech.keio.ac.jp
