143 citations · 909 across the 23 of their papers we have counts for
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q-bio.BM2021★ 33 cited
Ligand-induced protein dynamics differences correlate with protein-ligand binding affinities: An unsupervised deep learning approach
Ikki Yasuda, Katsuhiro Endo, Eiji Yamamoto +2
Prediction of protein-ligand binding affinity is a major goal in drug discovery. Generally, free energy gap is calculated between two states (e.g., ligand binding and unbinding). T…
quant-ph2021★ 85 cited
Natural quantum reservoir computing for temporal information processing
Yudai Suzuki, Qi Gao, Ken C. Pradel +2
Reservoir computing is a temporal information processing system that exploits artificial or physical dissipative dynamics to learn a dynamical system and generate the target time-s…