| AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials ZL Glick, DP Metcalf, A Koutsoukas, SA Spronk, DL Cheney, CD Sherrill The Journal of Chemical Physics 153 (4), 2020 | 62 | 2020 |
| Approaches for machine learning intermolecular interaction energies and application to energy components from symmetry adapted perturbation theory DP Metcalf, A Koutsoukas, SA Spronk, BL Claus, DA Loughney, ... The Journal of Chemical Physics 152 (7), 2020 | 34 | 2020 |
| Electron-passing neural networks for atomic charge prediction in systems with arbitrary molecular charge DP Metcalf, A Jiang, SA Spronk, DL Cheney, CD Sherrill Journal of Chemical Information and Modeling 61 (1), 115-122, 2020 | 33 | 2020 |
| Annular-to-apical “Emory angle” to ensure coaxial mitral implantation of the SAPIEN 3 valve AB Greenbaum, JC Lisko, PT Gleason, N Kamioka, DP Metcalf, ... Cardiovascular Interventions 13 (20), 2447-2450, 2020 | 13 | 2020 |
| A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions SA Spronk, ZL Glick, DP Metcalf, CD Sherrill, DL Cheney Scientific Data 10 (1), 619, 2023 | 12 | 2023 |
| Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion CH Borca, ZL Glick, DP Metcalf, LA Burns, CD Sherrill The Journal of Chemical Physics 158 (23), 2023 | 7 | 2023 |
| Range-dependence of two-body intermolecular interactions and their energy components in molecular crystals DP Metcalf, A Smith, ZL Glick, CD Sherrill The Journal of Chemical Physics 157 (8), 2022 | 5 | 2022 |
| Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods CT Sargent, DP Metcalf, ZL Glick, CH Borca, CD Sherrill The Journal of Chemical Physics 158 (5), 2023 | 3 | 2023 |
| Directional ΔG Neural Network (DrΔG-Net): A Modular Neural Network Approach to Binding Free Energy Prediction DP Metcalf, ZL Glick, A Bortolato, A Jiang, DL Cheney, CD Sherrill Journal of Chemical Information and Modeling 64 (6), 1907-1918, 2024 | 1 | 2024 |
| A Physics-Aware Neural Network for Protein-Ligand Interactions with Quantum Chemical Accuracy Z Glick, D Metcalf, C Sargent, S Spronk, A Koutsoukas, D Cheney, ... | 1 | 2024 |
| Multi-level approximations in the many-body expansion AIP/123-QED CH Borca, ZL Glick, DP Metcalf, LA Burns, C David | | |
David SherrillRegents' Professor, Chemistry and Computational Science, Georgia Tech在 gatech.edu 的电子邮件经过验证
