| Machine learning of reactive potentials Y Yang, S Zhang, KD Ranasinghe, O Isayev, AE Roitberg Annual Review of Physical Chemistry 75 (1), 371-395, 2024 | 22 | 2024 |
| Axially Chiral Cannabinols: A New Platform for Cannabinoid‐Inspired Drug Discovery PV Navaratne, JL Wilkerson, KD Ranasinghe, E Semenova, JS Felix, ... ChemMedChem 15 (9), 728-732, 2020 | 9 | 2020 |
| Insights and Challenges in Correcting Force Field Based Solvation Free Energies Using a Neural Network Potential J Karwounopoulos, Z Wu, S Tkaczyk, S Wang, A Baskerville, ... The Journal of Physical Chemistry B 128 (28), 6693-6703, 2024 | 2 | 2024 |
| AQuaRef: Machine learning accelerated quantum refinement of protein structures PVA Roman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe, Nigel W ... bioRxiv 2024.07.21.604493; doi: https://doi.org/10.1101/2024.07.21.604493, 2024 | | 2024 |
| Modeling of Chemical Reactions and Protein Structure Refinement Using Machine Learning KD Ranasinghe University of Florida, 2022 | | 2022 |
| Transference of knowledge in deep learning for chemically accurate organic reaction profiles K Ranasinghe, J Smith, O Isayev, A Roitberg ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Active learning in chemical space for the automatic improvement of the ANI deep learned potential with an application to reaction profiles J Smith, K Ranasinghe, C Devereux, O Isayev, A Roitberg ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| ANAKIN-ME: Using deep learning to develop a chemically accurate and universal potential for the prediction of organic reactions K Ranasinghe, J Smith, O Isayev, A Roitberg ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| Application of ANI deep learned potentials to general computational chemistry problems J Smith, K Ranasinghe, C Devereux, O Isayev, A Roitberg ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
Adrian RoitbergFrank Harris Professor. Department of Chemistry. University of Florida.E-mailová adresa ověřena na: ufl.edu