Qiang Shao
Huashan Hospital(CN)
Publications by Year
Research Areas
Protein Structure and Dynamics, Enzyme Structure and Function, Antenna Design and Analysis, Advanced Antenna and Metasurface Technologies, Computational Drug Discovery Methods
Most-Cited Works
- → Enhanced sampling in molecular dynamics(2019)418 cited
- → Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease(2021)189 cited
- → What coronavirus 3C‐like protease tells us: From structure, substrate selectivity, to inhibitor design(2021)128 cited
- → Structural basis for chemokine recognition and receptor activation of chemokine receptor CCR5(2021)107 cited
- → Methanol Strengthens Hydrogen Bonds and Weakens Hydrophobic Interactions in Proteins – A Combined Molecular Dynamics and NMR study(2011)92 cited
- → From Thermodynamics to Kinetics: Enhanced Sampling of Rare Events(2015)82 cited
- → Exploring Transition Pathway and Free-Energy Profile of Large-Scale Protein Conformational Change by Combining Normal Mode Analysis and Umbrella Sampling Molecular Dynamics(2013)71 cited
- → On the influence of hydrated imidazolium-based ionic liquid on protein structure stability: A molecular dynamics simulation study(2013)71 cited
- → β-Cyclodextrin as Pendant Groups of a Polycarboxylate Superplasticizer for Enhancing Clay Tolerance(2015)67 cited
- → From protein denaturant to protectant: Comparative molecular dynamics study of alcohol/protein interactions(2012)63 cited