Researchclopedia

Research Researchers Institutions Topics Submit About

Command Palette

Search for a command to run...

Researchclopedia

Research Researchers Institutions About

© 2026 Researchclopedia. Powered by OpenAlex under CC0 license.

Yingkai Zhang | Researchclopedia

Back to researchers

Yingkai Zhang

Zhejiang Chinese Medical University ORCID

187

Works

12,185

Citations

54

h-index

121

i10-index

Research Topics

Protein Structure and Dynamics Computational Drug Discovery Methods Advanced Chemical Physics Studies

Affiliations

Université Claude Bernard Lyon 12023–2023

Zhejiang Chinese Medical University2025–2025

Beijing Institute of Technology2022–2025

University of Science and Technology of China2000–2003

Howard Hughes Medical Institute2002–2005

Top Works

Comment on “Generalized Gradient Approximation Made Simple”

Yingkai Zhang,Weitao Yang

19982,848 citations

DNA and Nucleic Acid Chemistry

RNA and protein synthesis mechanisms

A challenge for density functionals: Self-interaction error increases for systems with a noninteger number of electrons

Yingkai Zhang,Weitao Yang

1998610 citations

A pseudobond approach to combining quantum mechanical and molecular mechanical methods

Yingkai Zhang,Tai‐Sung Lee,et al.

1999489 citations

Degenerate Ground States and a Fractional Number of Electrons in Density and Reduced Density Matrix Functional Theory

Weitao Yang,Yingkai Zhang,et al.

2000450 citations

Free energy calculation on enzyme reactions with an efficient iterative procedure to determine minimum energy paths on a combined <i>ab initio</i> QM/MM potential energy surface

Yingkai Zhang,Haiyan Liu,et al.

2000447 citations

Improving scoring-docking-screening powers of protein-ligand scoring functions using random forest

Cheng Wang,Yingkai Zhang

2016338 citations

Describing van der Waals Interaction in diatomic molecules with generalized gradient approximations: The role of the exchange functional

Yingkai Zhang,Wei Pan,et al.

1997304 citations

Role of the Catalytic Triad and Oxyanion Hole in Acetylcholinesterase Catalysis: An ab initio QM/MM Study

Yingkai Zhang,Jeremy Kua,et al.

2002249 citations

Reaction Mechanism of Monoethanolamine with CO<sub>2</sub> in Aqueous Solution from Molecular Modeling

Hong-Bin Xie,Yanzi Zhou,et al.

2010190 citations