Quin Hu
University of Otago(NZ)
Publications by Year
Research Areas
Machine Learning in Materials Science, Protein Structure and Dynamics, RNA and protein synthesis mechanisms, Computational Drug Discovery Methods, Social and Intergroup Psychology
Most-Cited Works
- → Crowder-Induced Conformational Ensemble Shift in Escherichia coli Prolyl-tRNA Synthetase(2019)23 cited
- → Cyclic Changes in Active Site Polarization and Dynamics Drive the “Ping-pong” Kinetics in NRH:Quinone Oxidoreductase 2: An Insight from QM/MM Simulations(2018)12 cited
- → Neural network potentials for reactive chemistry: CASPT2 quality potential energy surfaces for bond breaking(2023)12 cited
- → Editing Domain Motions Preorganize the Synthetic Active Site of Prolyl-tRNA Synthetase(2020)7 cited
- → Collective Identity and Intergroup Discrimination: Outcomes in Contexts that Emphasize and do not Emphasize Intergroup Relations(2015)4 cited
- → Training Transferable Interatomic Neural Network Potentials for Reactive Chemistry: Improved Chemical Space Sampling(2024)2 cited
- → Alkane dataset for reactive chemistry neural network potentials at DFT and CASPT2 level(2023)2 cited
- → Author response for "Neural network potentials for reactive chemistry: CASPT2 quality potential energy surfaces for bond breaking"(2023)