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Wensheng Cai

Wensheng Cai

D-Index & Metrics

Chemistry

D-Index
51
Citations
9883
World Ranking
13893
National Ranking
2154

Overview

Wensheng Cai is a researcher affiliated with Nankai University in China, focusing on Biochemistry, Genetics and Molecular Biology with significant contributions in Molecular Biology, Biophysics, Analytical Chemistry, Atomic and Molecular Physics, and Materials Chemistry.

The main topics of their research encompass:

  • Protein Structure and Dynamics
  • Spectroscopy and Chemometric Analyses
  • Spectroscopy Techniques in Biomedical and Chemical Research
  • Spectroscopy and Quantum Chemical Studies
  • Computational Drug Discovery Methods
  • Enzyme Structure and Function
  • Machine Learning in Materials Science

Wensheng Cai has published extensively in several scientific venues. Frequent publication venues include:

  • Journal of Chemical Information and Modeling
  • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
  • The Journal of Physical Chemistry B
  • Journal of Chemical Theory and Computation
  • The Journal of Physical Chemistry Letters

Among the notable recent papers authored or co-authored by Wensheng Cai are:

  • "An ultralow-temperature aqueous zinc-ion battery," 2021, Journal of Materials Chemistry A
  • "Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations," 2022, Nature Protocols
  • "Improving zinc anode reversibility by hydrogen bond in hybrid aqueous electrolyte," 2021, Chemical Engineering Journal
  • "Finding an Optimal Pathway on a Multidimensional Free-Energy Landscape," 2020, Journal of Chemical Information and Modeling
  • "Deep learning in spectral analysis: Modeling and imaging," 2024, TrAC Trends in Analytical Chemistry

Collaborations form an integral part of Cai's work, with frequent co-authors including:

  • Xueguang Shao, with 77 collaborations
  • Haohao Fu, with 38 collaborations
  • Christophe Chipot, with 20 collaborations
  • Xuyang Liu, with 14 collaborations
  • Yan Sun, with 10 collaborations

Best Publications

  • A variable selection method based on uninformative variable elimination for multivariate calibration of near-infrared spectra

    Unknown

  • A Toolkit for the Analysis of Free-Energy Perturbation Calculations

    Peng Liu;François Dehez;Wensheng Cai;Christophe Chipot;Christophe Chipot

  • Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations

    Unknown

  • An ultralow-temperature aqueous zinc-ion battery

    Tianjiang Sun;Xuming Yuan;Ke Wang;Shibing Zheng

  • Extended Adaptive Biasing Force Algorithm. An On-the-Fly Implementation for Accurate Free-Energy Calculations.

    Haohao Fu;Xueguang Shao;Christophe Chipot;Wensheng Cai

  • Taming Rugged Free Energy Landscapes Using an Average Force.

    Haohao Fu;Xueguang Shao;Wensheng Cai;Christophe Chipot

  • Zooming across the Free-Energy Landscape: Shaving Barriers, and Flooding Valleys.

    Haohao Fu;Hong Zhang;Haochuan Chen;Xueguang Shao

  • Molecular dynamics study of the inclusion of cholesterol into cyclodextrins.

    Yanmin Yu;Christophe Chipot;Wensheng Cai;Xueguang Shao

  • Improving zinc anode reversibility by hydrogen bond in hybrid aqueous electrolyte

    Haihui Du;Ke Wang;Tianjiang Sun;Jinqiang Shi

  • A new regression method based on independent component analysis.

    Xueguang Shao;Wei Wang;Zhenyu Hou;Wensheng Cai;Wensheng Cai

  • Multivariate calibration methods in near infrared spectroscopic analysis

    Xueguang Shao;Xihui Bian;Jingjing Liu;Min Zhang

  • An improved boosting partial least squares method for near-infrared spectroscopic quantitative analysis

    Xueguang Shao;Xihui Bian;Wensheng Cai

  • An Efficient Method Based on Lattice Construction and the Genetic Algorithm for Optimization of Large Lennard-Jones Clusters.

    Unknown

  • A dynamic lattice searching method for fast optimization of Lennard–Jones clusters

    Unknown

  • Finding an Optimal Pathway on a Multidimensional Free-Energy Landscape

    Haohao Fu;Haochuan Chen;Xin'ao Wang;Hao Chai

  • Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA.

    Hong Zhang;Hugo Gattuso;Elise Dumont;Wensheng Cai

  • Standardization of near infrared spectra measured on multi-instrument

    Yan Liu;Wensheng Cai;Xueguang Shao

  • Determination of seven polyphenols in water by high performance liquid chromatography combined with preconcentration

    Unknown

  • Can the anomalous aqueous solubility of β-cyclodextrin be explained by its hydration free energy alone?

    Wensheng Cai;Tingting Sun;Xueguang Shao;Christophe Chipot

  • Inclusion Mechanism of Steroid Drugs into β-Cyclodextrins. Insights from Free Energy Calculations

    Wensheng Cai;Tingting Sun;Peng Liu;Christophe Chipot

  • Structural Distribution of Lennard-Jones Clusters Containing 562 to 1000 Atoms.

    Unknown

  • Water can be a probe for sensing glucose in aqueous solutions by temperature dependent near infrared spectra

    Xiaoyu Cui;Xiuwei Liu;Xiaoming Yu;Wensheng Cai

  • Application of latent projective graph in variable selection for near infrared spectral analysis

    Xueguang Shao;Guorong Du;Ming Jing;Wensheng Cai

  • BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations.

    Haohao Fu;James C. Gumbart;Haochuan Chen;Xueguang Shao

  • Multiblock partial least squares regression based on wavelet transform for quantitative analysis of near infrared spectra

    Ming Jing;Wensheng Cai;Xueguang Shao

  • Rapid and nondestructive analysis of pharmaceutical products using near-infrared diffuse reflectance spectroscopy.

    Pao Li;Guorong Du;Wensheng Cai;Xueguang Shao

Frequent Co-Authors

Christophe Chipot
Christophe Chipot University of Illinois at Urbana-Champaign
Shulin Chen
Shulin Chen Washington State University
Zhanliang Tao
Zhanliang Tao Nankai University
Guy Schoehn
Guy Schoehn Grenoble Alpes University
Jing Liang
Jing Liang Nankai University
Edward R. Grant
Edward R. Grant University of British Columbia
Benoît Roux
Benoît Roux University of Chicago
Yanlian Yang
Yanlian Yang University of Chinese Academy of Sciences
Jide Wang
Jide Wang Xinjiang University
Wei Wang
Wei Wang Ministry of Education of the People's Republic of China

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