Zhaoxi Sun
Shenzhen University(CN)Shenzhen Technology University(CN)
Publications by Year
Research Areas
Protein Structure and Dynamics, Spectroscopy and Quantum Chemical Studies, Computational Drug Discovery Methods, Advanced Chemical Physics Studies, Machine Learning in Materials Science
Most-Cited Works
- → Interaction entropy for protein-protein binding(2017)131 cited
- → Protein–Ligand Empirical Interaction Components for Virtual Screening(2017)74 cited
- → BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformation(2017)72 cited
- → A General Picture of Cucurbit[8]uril Host–Guest Binding(2021)68 cited
- → Interaction entropy for computational alanine scanning in protein–protein binding(2017)66 cited
- → BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformation: the nonequilibrium stratification(2018)54 cited
- → Protonation-dependent base flipping in the catalytic triad of a small RNA(2017)54 cited
- → Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force Fields(2020)52 cited
- → Thermodynamics of helix formation in small peptides of varying length in vacuo, in implicit solvent, and in explicit solvent(2018)51 cited
- → Sulfur-substitution-induced base flipping in the DNA duplex(2019)49 cited