Mechanism of tripeptide trimming of amyloid β-peptide 49 by γ-secretase A Bhattarai, S Devkota, HN Do, J Wang, S Bhattarai, MS Wolfe, Y Miao Journal of the American Chemical Society 144 (14), 6215-6226, 2022 | 17 | 2022 |
GLOW: A workflow integrating Gaussian-accelerated molecular dynamics and deep learning for free energy profiling HN Do, J Wang, A Bhattarai, Y Miao Journal of chemical theory and computation 18 (3), 1423-1436, 2022 | 15 | 2022 |
Predicting biomolecular binding kinetics: A review J Wang, HN Do, K Koirala, Y Miao Journal of Chemical Theory and Computation 19 (8), 2135-2148, 2023 | 7 | 2023 |
Gaussian accelerated molecular dynamics in OpenMM MM Copeland, HN Do, L Votapka, K Joshi, J Wang, RE Amaro, Y Miao The Journal of Physical Chemistry B 126 (31), 5810-5820, 2022 | 7 | 2022 |
Pathways and Mechanism of Caffeine Binding to Human Adenosine A2A Receptor HN Do, S Akhter, Y Miao Frontiers in Molecular Biosciences 8, 673170, 2021 | 7 | 2021 |
Structures of β1-adrenergic receptor in complex with Gs and ligands of different efficacies M Su, N Paknejad, L Zhu, J Wang, HN Do, Y Miao, W Liu, RK Hite, ... Nature communications 13 (1), 4095, 2022 | 5 | 2022 |
Molecular simulations and drug discovery of adenosine receptors J Wang, A Bhattarai, HN Do, S Akhter, Y Miao Molecules 27 (7), 2054, 2022 | 5 | 2022 |
Unique features of different classes of G‐protein‐coupled receptors revealed from sequence coevolutionary and structural analysis HN Do, A Haldane, RM Levy, Y Miao Proteins: Structure, Function, and Bioinformatics 90 (2), 601-614, 2022 | 3 | 2022 |
Effects of presenilin-1 familial Alzheimer’s disease mutations on γ-secretase activation for cleavage of amyloid precursor protein HN Do, S Devkota, A Bhattarai, MS Wolfe, Y Miao Communications Biology 6 (1), 174, 2023 | 2 | 2023 |
Challenges and frontiers of computational modelling of biomolecular recognition J Wang, A Bhattarai, HN Do, Y Miao QRB Discovery 3, e13, 2022 | 2 | 2022 |
Deep Boosted Molecular Dynamics (DBMD): Accelerating molecular simulations with Gaussian boost potentials generated using probabilistic Bayesian deep neural network HN Do, Y Miao bioRxiv, 2023.03. 25.534210, 2023 | 1 | 2023 |
Accelerating Molecular Dynamics Simulations for Drug Discovery K Koirala, K Joshi, V Adediwura, J Wang, H Do, Y Miao Computational Drug Discovery and Design, 187-202, 2023 | | 2023 |
Structural basis of agonist specificity of α1A-adrenergic receptor M Su, J Wang, G Xiang, HN Do, J Levitz, Y Miao, XY Huang Nature Communications 14 (1), 4819, 2023 | | 2023 |
Deep Boosted Molecular Dynamics: Accelerating Molecular Simulations with Gaussian Boost Potentials Generated Using Probabilistic Bayesian Deep Neural Network HN Do, Y Miao The Journal of Physical Chemistry Letters 14, 4970-4982, 2023 | | 2023 |
Effects of familial Alzheimer's disease mutations on gamma-secretase activation for cleavage of amyloid precursor protein HN Do, S Devkota, A Bhattarai, MS Wolfe, Y Miao Biophysical Journal 122 (3), 507a, 2023 | | 2023 |
Deep Learning Dynamic Allostery of G-Protein-Coupled Receptors HN Do, J Wang, Y Miao bioRxiv, 2023.01. 15.524128, 2023 | | 2023 |
Molecular Dynamics Activation of γ-Secretase for Cleavage of Notch1 Substrate HN Do, SR Malvankar, MS Wolfe, Y Miao bioRxiv, 2023.09. 26.559539, 2023 | | 2023 |
Alzheimer mutations stabilize synaptotoxic γ-secretase-substrate complexes S Devkota, R Zhou, V Nagarajan, M Maesako, H Do, A Noorani, ... bioRxiv, 2023.09. 08.556905, 2023 | | 2023 |
Mechanism of tripeptide trimming by γ-secretase A Bhattarai, S Devkota, HN Do, J Wang, S Bhattarai, MS Wolfe, Y Miao Biophysical Journal 121 (3), 87a, 2022 | | 2022 |