Rae A Corrigan Grove
5PUBLICATIONS
24CO-AUTHORS
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Publications (5)
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|Feb 12, 2026
Shadow molecular dynamics for flexible multipole models.Rae A Corrigan Grove, Robert Stanton, Michael E Wall
|Oct 06, 2025
Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis.Rae A Corrigan Grove, Michael A Moxley, Christian F A Negre
|Jul 03, 2024
Force Field X: A computational microscope to study genetic variation and organic crystals using theory and experiment.Rose A Gogal, Aaron J Nessler, Andrew C Thiel
|Aug 01, 2023
A generalized Kirkwood implicit solvent for the polarizable AMOEBA protein model.Rae A Corrigan, Andrew C Thiel, Jack R Lynn
|Mar 26, 2021
Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field.Rae A Corrigan, Guowei Qi, Andrew C Thiel
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Frequent Collaborators
3 joint publications
Jay W Ponder
3 joint publications
Pengyu Ren
3 joint publications
Michael J Schnieders
2 joint publications
Jean-Philip Piquemal
2 joint publications
Andrew C Thiel
2 joint publications
Michael E Wall
1 joint publications
Rose A Gogal
1 joint publications
Aaron J Nessler
1 joint publications
Jacob M Litman
1 joint publications
Jacob M Miller
