Derek P Metcalf
6PUBLICATIONS
9CO-AUTHORS
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Publications (6)
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|Aug 26, 2024
A physics-aware neural network for protein-ligand interactions with quantum chemical accuracy.Zachary L Glick, Derek P Metcalf, Caroline S Glick
|Mar 12, 2024
Directional ΔG Neural Network (DrΔG-Net): A Modular Neural Network Approach to Binding Free Energy Prediction.Derek P Metcalf, Zachary L Glick, Andrea Bortolato
|Jun 15, 2023
Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion.Carlos H Borca, Zachary L Glick, Derek P Metcalf
|Feb 08, 2023
Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods.Caroline T Sargent, Derek P Metcalf, Zachary L Glick
|Sep 01, 2022
Range-dependence of two-body intermolecular interactions and their energy components in molecular crystals.Derek P Metcalf, Andrew Smith, Zachary L Glick
|Dec 16, 2020
Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge.Derek P Metcalf, Andy Jiang, Steven A Spronk
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Frequent Collaborators
6 joint publications
C David Sherrill
4 joint publications
Zachary L Glick
2 joint publications
Andy Jiang
2 joint publications
Caroline T Sargent
2 joint publications
Carlos H Borca
1 joint publications
Andrew Smith
1 joint publications
Lori A Burns
1 joint publications
Steven A Spronk
1 joint publications
Daniel L Cheney
