| The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of Chemical Theory and Computation 19 (20), 6933-6991, 2023 | 53 | 2023 |
| Direct look at the electric field in ketosteroid isomerase and its variants MR Hennefarth, AN Alexandrova ACS Catalysis 10 (17), 9915-9924, 2020 | 33 | 2020 |
| Advances in optimizing enzyme electrostatic preorganization MR Hennefarth, AN Alexandrova Current Opinion in Structural Biology 72, 1-8, 2022 | 26 | 2022 |
| Machine Learning to Predict Diels–Alder Reaction Barriers from the Reactant State Electron Density S Vargas, MR Hennefarth, Z Liu, AN Alexandrova Journal of Chemical Theory and Computation 17 (10), 6203-6213, 2021 | 20 | 2021 |
| Heterogeneous intramolecular electric field as a descriptor of Diels–Alder reactivity MR Hennefarth, AN Alexandrova The Journal of Physical Chemistry A 125 (5), 1289-1298, 2021 | 12 | 2021 |
| A chemical biology approach to model pontocerebellar hypoplasia type 1B (PCH1B) L François-Moutal, S Jahanbakhsh, ADL Nelson, D Ray, DD Scott, ... ACS Chemical Biology 13 (10), 3000-3010, 2018 | 11 | 2018 |
| Histidine‐Mediated Ion Specific Effects Enable Salt Tolerance of a Pore‐Forming Marine Antimicrobial Peptide W Xian, MR Hennefarth, MW Lee, T Do, EY Lee, AN Alexandrova, ... Angewandte Chemie International Edition 61 (25), e202108501, 2022 | 8 | 2022 |
| The Case for Enzymatic Competitive Metal Affinity Methods DJ Reilley, MR Hennefarth, AN Alexandrova ACS Catalysis 10 (3), 2298-2307, 2020 | 8 | 2020 |
| Physicochemical and biochemical spatiotemporal maps of a mouse penis MR Hennefarth, L Chen, B Wang, TF Lue, ML Stoller, G Lin, M Kang, ... Journal of Biomechanics 101, 109637, 2020 | 5 | 2020 |
| Mineralized Peyronie's plaque has a phenotypic resemblance to bone P Ustriyana, MR Hennefarth, S Srirangapatanam, H Jung, Y Wang, ... Acta Biomaterialia 140, 457-466, 2022 | 4 | 2022 |
| Linearized Pair-Density Functional Theory MR Hennefarth, MR Hermes, DG Truhlar, L Gagliardi Journal of Chemical Theory and Computation 19 (11), 3172-3183, 2023 | 3 | 2023 |
| Linearized Pair-Density Functional Theory for Vertical Excitation Energies MR Hennefarth, DS King, L Gagliardi Journal of Chemical Theory and Computation 19 (22), 7983-7988, 2023 | 1 | 2023 |
| Multiconfiguration Pair-Density Functional Theory for Strongly Correlated Systems L Gagliardi, D Truhlar, M Hermes, A Mitra, M Hennefarth, S Verma Bulletin of the American Physical Society, 2024 | | 2024 |
| Analytic Nuclear Gradients for Complete Active Space Linearized Pair-Density Functional Theory MR Hennefarth, MR Hermes, DG Truhlar, L Gagliardi arXiv preprint arXiv:2401.12933, 2024 | | 2024 |
| PD44-04 THE SPATIAL DISTRIBUTION OF INORGANIC NANOPARTICLES WITHIN CALCIFIED PEYRONIE'S PLAQUE L Chen, M Hennefarth, M Kang, S Wiener, T Lue, M Stoller, S Ho The Journal of Urology 199 (4S), e882-e882, 2018 | | 2018 |
| PD31-11 THE ORIGINS OF CALCIFIED PEYRONIE'S PLAQUE M Hennefarth, L Chen, M Kang, R Hsi, A Reed-Maldonado, G Lin, ... The Journal of Urology 197 (4S), e587-e587, 2017 | | 2017 |
| THE ORIGINS OF CALCIFIED PEYRONIE'S PLAQUE: PD31-11 M Hennefarth, L Chen, M Kang, R Hsi, A Reed-Maldonado, G Lin, ... The Journal of Urology 197 (4), 2017 | | 2017 |
| MP56-18 THE MOUSE CORPUS CAVERNOSUM GLANDUS IS BIOMECHANICALLY ANALOGOUS TO THE HUMAN CORPUS CAVERNOSUM M Hennefarth, L Chen, R Hsi, M Kang, A Reed-Maldonado, G Lin, ... The Journal of Urology 197 (4S), e761-e762, 2017 | | 2017 |
