| 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 | 28 | 2022 |
| 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 | 27 | 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 | 21 | 2023 |
| Pathways and Mechanism of Caffeine Binding to Human Adenosine A2A Receptor HN Do, S Akhter, Y Miao Frontiers in molecular biosciences 8, 673170, 2021 | 19 | 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 | 13 | 2022 |
| 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 | 11 | 2022 |
| Deep Learning Dynamic Allostery of G-Protein-Coupled Receptors HN Do, J Wang, Y Miao JACS Au 3 (11), 3165-3180, 2023 | 10 | 2023 |
| 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 Nature Communications Biology 6 (1), 174, 2023 | 10 | 2023 |
| Molecular simulations and drug discovery of adenosine receptors J Wang, A Bhattarai, HN Do, S Akhter, Y Miao Molecules 27 (7), 2054, 2022 | 9 | 2022 |
| Familial Alzheimer mutations stabilize synaptotoxic γ-secretase-substrate complexes S Devkota, R Zhou, V Nagarajan, M Maesako, H Do, A Noorani, ... Cell reports 43 (2), 2024 | 7 | 2024 |
| 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 | 6 | 2022 |
| 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 (21), 4970-4982, 2023 | 5 | 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 | 4 | 2023 |
| Challenges and frontiers of computational modelling of biomolecular recognition J Wang, A Bhattarai, HN Do, Y Miao QRB discovery 3, e13, 2022 | 4 | 2022 |
| 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 | 2 | 2023 |
| Molecular Dynamics Activation of γ-Secretase for Cleavage of the Notch1 Substrate HN Do, SR Malvankar, MS Wolfe, Y Miao ACS Chemical Neuroscience 14 (23), 4216-4226, 2023 | 1 | 2023 |
| PepBinding: A Workflow for Predicting Peptide Binding Structures by Combining Peptide Docking and Peptide Gaussian Accelerated Molecular Dynamics Simulations J Wang, K Koirala, HN Do, Y Miao The Journal of Physical Chemistry B, 2024 | | 2024 |
| Understanding the impact of binding free energy and kinetics calculations in modern drug discovery VA Adediwura, K Koirala, HN Do, J Wang, Y Miao Expert Opinion on Drug Discovery, 1-12, 2024 | | 2024 |
| Gaussian Accelerated Molecular Dynamics in Drug Discovery HN Do, J Wang, K Joshi, K Koirala, Y Miao Computational Drug Discovery: Methods and Applications 1, 21-43, 2024 | | 2024 |
| Dynamics of B cell receptor assembly in a complex membrane revealed by multiscale simulations HN Do, M Zhao, CAL Bautista, S Gnanakaran Biophysical Journal 123 (3), 485a, 2024 | | 2024 |
Yinglong MiaoComputational Medicine and Pharmacology, University of North Carolina - Chapel Hill在 med.unc.edu 的电子邮件经过验证
