Haibo Yu

Publication Activity (10 Years)

Years Active: 2001-2020
Publications (10 Years): 3

Top Topics

Prediction Accuracy

Autocorrelation Function

Qualitative And Quantitative

Top Venues

J. Comput. Chem.

Publications

Thomas M. Griffiths, Aaron J. Oakley, Haibo Yu
Atomistic Insights into Photoprotein Formation: Computational Prediction of the Properties of Coelenterazine and Oxygen Binding in Obelin. J. Comput. Chem. 41 (6) (2020)
Ernest Awoonor-Williams, William C. Isley III, Stephen G. Dale, Erin R. Johnson, Haibo Yu, Axel D. Becke, Benoît Roux, Christopher N. Rowley
Quantum Chemical Methods for Modeling Covalent Modification of Biological Thiols. J. Comput. Chem. 41 (5) (2020)
V. S. Sandeep Inakollu, Haibo Yu
A systematic benchmarking of computational vibrational spectroscopy with DFTB3: Normal mode analysis and fast Fourier transform dipole autocorrelation function. J. Comput. Chem. 39 (25) (2018)
Haibo Yu, Liang Ma, Yang Yang, Qiang Cui
Mechanochemical Coupling in the Myosin Motor Domain. II. Analysis of Critical Residues. PLoS Comput. Biol. 3 (2) (2007)
Haibo Yu, Liang Ma, Yang Yang, Qiang Cui
Mechanochemical Coupling in the Myosin Motor Domain. I. Insights from Equilibrium Active-Site Simulations. PLoS Comput. Biol. 3 (2) (2007)
Haibo Yu, Daan P. Geerke, Haiyan Liu, Wilfred F. van Gunsteren
Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models. J. Comput. Chem. 27 (13) (2006)
Haibo Yu, Wilfred F. van Gunsteren
Accounting for polarization in molecular simulation. Comput. Phys. Commun. 172 (2) (2005)
Jiang Zhu, Haibo Yu, Hao Fan, Haiyan Liu, Yunyu Shi
Design of new selective inhibitors of cyclooxygenase-2 by dynamic assembly of molecular building blocks. J. Comput. Aided Mol. Des. 15 (5) (2001)