| [1] |
Paige E Bowling, Dustin R Broderick, and John M Herbert
"Convergent Protocols for Computing Protein-Ligand Interaction Energies Using Fragment-Based Quantum Chemistry."
J Chem Theory Comput 21, 951-966 (2025).
|
| [2] |
Paige E Bowling, Dustin R Broderick, and John M Herbert
"Quick-and-Easy Validation of Protein-Ligand Binding Models Using Fragment-Based Semiempirical Quantum Chemistry."
J Chem Inf Model 65, 937-949 (2025).
|
| [3] |
Montgomery Gray, Paige E Bowling, and John M Herbert
"Comment on "
J Phys Chem A 128, 7739-7745 (2024).
|
| [4] |
Paige E Bowling, Saswata Dasgupta, and John M Herbert
"Eliminating Imaginary Vibrational Frequencies in Quantum-Chemical Cluster Models of Enzymatic Active Sites."
J Chem Inf Model 64, 3912-3922 (2024).
|
| [5] |
Paige E Bowling, Dustin R Broderick, and John M Herbert
"Fragment-Based Calculations of Enzymatic Thermochemistry Require Dielectric Boundary Conditions."
J Phys Chem Lett 14, 3826-3834 (2023).
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| [6] |
Montgomery Gray, Paige E Bowling, and John M Herbert
"Systematic Evaluation of Counterpoise Correction in Density Functional Theory."
J Chem Theory Comput 18, 6742-6756 (2022).
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