Haibo Yu

According to our database, Haibo Yu authored at least 8 papers between 2001 and 2020.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2020

Atomistic Insights into Photoprotein Formation: Computational Prediction of the Properties of Coelenterazine and Oxygen Binding in Obelin.

Thomas M. Griffiths, Aaron J. Oakley, Haibo Yu

J. Comput. Chem., 2020

Quantum Chemical Methods for Modeling Covalent Modification of Biological Thiols.

Ernest Awoonor-Williams, William C. Isley III, Stephen G. Dale, Erin R. Johnson, Haibo Yu, Axel D. Becke, Benoît Roux, Christopher N. Rowley

J. Comput. Chem., 2020

2018

A systematic benchmarking of computational vibrational spectroscopy with DFTB3: Normal mode analysis and fast Fourier transform dipole autocorrelation function.

V. S. Sandeep Inakollu, Haibo Yu

J. Comput. Chem., 2018

2007

Mechanochemical Coupling in the Myosin Motor Domain. I. Insights from Equilibrium Active-Site Simulations.

Haibo Yu, Liang Ma, Yang Yang, Qiang Cui

PLoS Comput. Biol., 2007

Mechanochemical Coupling in the Myosin Motor Domain. II. Analysis of Critical Residues.

Haibo Yu, Liang Ma, Yang Yang, Qiang Cui

PLoS Comput. Biol., 2007

2006

Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models.

Haibo Yu, Daan P. Geerke, Haiyan Liu, Wilfred F. van Gunsteren

J. Comput. Chem., 2006

2005

Accounting for polarization in molecular simulation.

Haibo Yu, Wilfred F. van Gunsteren

Comput. Phys. Commun., 2005

2001

Design of new selective inhibitors of cyclooxygenase-2 by dynamic assembly of molecular building blocks.

Jiang Zhu, Haibo Yu, Hao Fan, Haiyan Liu, Yunyu Shi

J. Comput. Aided Mol. Des., 2001