| DNArCdb: A database of cancer biomarkers in DNA repair genes that includes variants related to multiple cancer phenotypes P Silvestrov, SJ Maier, M Fang, GA Cisneros DNA repair 70, 10-17, 2018 | 17 | 2018 |
| G4 accuracy at DFT cost: unlocking accurate redox potentials for organic molecules using systematic error cancellation S Maier, B Thapa, K Raghavachari Physical Chemistry Chemical Physics 22 (8), 4439-4452, 2020 | 14 | 2020 |
| Comparative assessment of QM-based and MM-based models for prediction of protein–ligand binding affinity trends S Maier, B Thapa, J Erickson, K Raghavachari Physical Chemistry Chemical Physics 24 (23), 14525-14537, 2022 | 6 | 2022 |
| Quantitative Prediction of Vertical Ionization Potentials from DFT via a Graph-Network-Based Delta Machine Learning Model Incorporating Electronic Descriptors S Maier, EM Collins, K Raghavachari The Journal of Physical Chemistry A 127 (15), 3472-3483, 2023 | 4 | 2023 |
| Approaching Coupled Cluster Accuracy with Density Functional Theory Using the Generalized Connectivity-Based Hierarchy K Raghavachari, S Maier, EM Collins, S Debnath, A Sengupta Journal of Chemical Theory and Computation, 2023 | 3 | 2023 |
| IBX Oxidations for the Synthesis of Substituted 2H-Pyrans D R Williams, S A Bawel, N Haddadpour, S Maier HETEROCYCLES 103 (2), 2021 | 2 | 2021 |
| Leveraging DFT and Molecular Fragmentation for Chemically Accurate pKa Prediction Using Machine Learning AJ Sanchez, S Maier, K Raghavachari Journal of Chemical Information and Modeling, 2024 | | 2024 |
| Towards Post-Hartree-Fock Accuracy for Protein-Ligand Affinities Using the Molecules-in-Molecules Fragmentation-Based Method A Gupta, S Maier, B Thapa, K Raghavachari | | 2023 |
| Ravidomycin Analogs from Streptomyces sp. Exhibit Altered Antimicrobial and Cytotoxic Selectivity KJ Park, S Maier, C Zhang, SAH Dixon, DB Rusch, MT Pupo, SP Angus, ... Journal of Natural Products, 2023 | | 2023 |
| Coupled Cluster Accuracy at DFT Cost: Generalized Isodesmic Schemes in Quantum Chemistry and Illustrative Applications S Maier, K Raghavachari Elsevier, 2023 | | 2023 |
| Surprises with coordination geometries of cationic copper (I) complexes S Maier, JP Donahue, H Jacobsen Polyhedron 194, 114941, 2021 | | 2021 |
| Computational investigation of cancer-related mutations on DNA polymerase nu S Maier, P Silvestrov, GA Cisneros ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
