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Journal of Chemical Theory and Computation|February 17, 2025
Integrating Machine Learning and Quantum Circuits for Proton Affinity PredictionsHongni Jin, Kenneth M MerzJournal of Chemical Information and Modeling|April 8, 2024
Modeling Zinc Complexes Using Neural NetworksHongni Jin, Kenneth M MerzJournal of Chemical Theory and Computation|May 14, 2024
LigandDiff: de Novo Ligand Design for 3D Transition Metal Complexes with Diffusion ModelsHongni Jin, Kenneth M MerzJournal of Chemical Theory and Computation|September 9, 2024
Partial to Total Generation of 3D Transition-Metal ComplexesHongni Jin, Kenneth M MerzJournal of Chemical Theory and Computation|March 5, 2024
Modeling Fe(II) Complexes Using Neural NetworksHongni Jin, Kenneth M MerzScientific Reports|February 14, 2026
Benchmarking MedMNIST dataset on real quantum hardwareGurinder Singh, Hongni Jin, Kenneth M MerzAccounts of Chemical Research|August 8, 2014
Using quantum mechanical approaches to study biological systemsKenneth M MerzJournal of Chemical Theory and Computation|May 15, 2010
Limits of Free Energy Computation for Protein-Ligand InteractionsKenneth M MerzBiochemistry|August 30, 2021
Formation of the Metal-Binding Core of the ZRT/IRT-like Protein (ZIP) Family Zinc TransporterGaurav Sharma, Kenneth M MerzJournal of Chemical Theory and Computation|March 25, 2014
Taking into Account the Ion-induced Dipole Interaction in the Nonbonded Model of IonsPengfei Li, Kenneth M MerzPageof 23