Van‐Quan Vuong
Karlsruhe Institute of Technology(DE)Boston University(US)Institute of Physical Chemistry(PL)
Publications by Year
Research Areas
Protein Structure and Dynamics, Advanced Chemical Physics Studies, Computational Drug Discovery Methods, Machine Learning in Materials Science, Machine Learning and Algorithms
Most-Cited Works
- → Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19(2020)187 cited
- → Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic Molecules(2017)94 cited
- → Pre-Sodiated Ti3C2Tx MXene Structure and Behavior as Electrode for Sodium-Ion Capacitors(2021)89 cited
- → Impact of Cu(II) Binding on Structures and Dynamics of Aβ42 Monomer and Dimer: Molecular Dynamics Study(2016)66 cited
- → Artificial neural network correction for density-functional tight-binding molecular dynamics simulations(2019)62 cited
- → A New Method for Navigating Optimal Direction for Pulling Ligand from Binding Pocket: Application to Ranking Binding Affinity by Steered Molecular Dynamics(2015)59 cited