Juyong Lee

AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks

Yongbeom Kwon, Woong‐Hee Shin, Junsu Ko et al. · International Journal of Molecular Sciences · 2020 · 116 citations · Full text

Engineering, Machine Learning, 3D-convolutional Neural Networks +18

Retrosynthetic reaction pathway prediction through neural machine translation of atomic environments

Umit Volkan Ucak, Islambek Ashyrmamatov, Junsu Ko et al. · Nature Communications · 2022 · 101 citations · Full text

Can AlphaFold2 predict protein-peptide complex structures accurately?

Junsu Ko, Juyong Lee · 2021 · 87 citations · Full text

Structural Bioinformatics, Biomolecular Structure Prediction, Molecular Biology +18

Constant pH Molecular Dynamics in Explicit Solvent with Enveloping Distribution Sampling and Hamiltonian Exchange

Juyong Lee, Benjamin T. Miller, Ana Damjanović et al. · Journal of Chemical Theory and Computation · 2014 · 86 citations · Full text

Random Forest-Based Protein Model Quality Assessment (RFMQA) Using Structural Features and Potential Energy Terms

Balachandran Manavalan, Juyong Lee · PLoS ONE · 2014 · 84 citations · Full text

Structural Bioinformatics, Biomolecular Structure Prediction, Molecular Biology +18