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Metcalf, Derek P.
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9
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Metcalf, Derek P.
'
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1
A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions
by
Spronk, Steven A.
,
Glick, Zachary L.
,
Metcalf, Derek P.
,
Sherrill, C. David
,
Cheney, Daniel L.
Published in
Scientific data
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2
Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge
by
Metcalf, Derek P
,
Jiang, Andy
,
Spronk, Steven A
,
Cheney, Daniel L
,
Sherrill, C. David
Published in
Journal of chemical information and modeling
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3
AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials
by
Glick, Zachary L.
,
Metcalf, Derek P.
,
Koutsoukas, Alexios
,
Spronk, Steven A.
,
Cheney, Daniel L.
,
Sherrill, C. David
Published in
The Journal of chemical physics
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4
Directional ΔG Neural Network (DrΔG‑Net): A Modular Neural Network Approach to Binding Free Energy Prediction
by
Metcalf, Derek P.
,
Glick, Zachary L.
,
Bortolato, Andrea
,
Jiang, Andy
,
Cheney, Daniel L.
,
Sherrill, C. David
Published in
Journal of chemical information and modeling
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5
Range-dependence of two-body intermolecular interactions and their energy components in molecular crystals
by
Metcalf, Derek P.
,
Smith, Andrew
,
Glick, Zachary L.
,
Sherrill, C. David
Published in
The Journal of chemical physics
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Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion
by
Borca, Carlos H.
,
Glick, Zachary L.
,
Metcalf, Derek P.
,
Burns, Lori A.
,
Sherrill, C. David
Published in
The Journal of chemical physics
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Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods
by
Sargent, Caroline T.
,
Metcalf, Derek P.
,
Glick, Zachary L.
,
Borca, Carlos H.
,
Sherrill, C. David
Published in
The Journal of chemical physics
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8
Approaches for machine learning intermolecular interaction energies and application to energy components from symmetry adapted perturbation theory
by
Metcalf, Derek P.
,
Koutsoukas, Alexios
,
Spronk, Steven A.
,
Claus, Brian L.
,
Loughney, Deborah A.
,
Johnson, Stephen R.
,
Cheney, Daniel L.
,
Sherrill, C. David
Published in
The Journal of chemical physics
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9
Annular-to-Apical “Emory Angle” to Ensure Coaxial Mitral Implantation of the SAPIEN 3 Valve
by
Greenbaum, Adam B.
,
Lisko, John C.
,
Gleason, Patrick T.
,
Kamioka, Norihiko
,
Metcalf, Derek P.
,
Greenbaum, Max A.
,
Paone, Gaetano
,
Grubb, Kendra J.
,
Lederman, Robert J.
,
Babaliaros, Vasilis C.
Published in
JACC. Cardiovascular interventions
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