Haibo Yu

Orcid: 0000-0002-1099-2803

Affiliations:
  • ETH Zürich, Switzerland


According to our database1, Haibo Yu authored at least 10 papers between 2001 and 2026.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

Legend:

Book  In proceedings  Article  PhD thesis  Dataset  Other 

Links

Online presence:

On csauthors.net:

Bibliography

2026
Mechanistic Insights into Nanobody-Based Quenchbody Sensing via Structural Modeling and Molecular Simulations.
J. Chem. Inf. Model., 2026

2025
The Effects of Conformational Sampling and QM Region Size in QM/MM Simulations: An Adaptive QM/MM Study With Model Systems.
J. Comput. Chem., 2025

2020
Atomistic Insights into Photoprotein Formation: Computational Prediction of the Properties of Coelenterazine and Oxygen Binding in Obelin.
J. Comput. Chem., 2020

Quantum Chemical Methods for Modeling Covalent Modification of Biological Thiols.
J. Comput. Chem., 2020

2018
A systematic benchmarking of computational vibrational spectroscopy with DFTB3: Normal mode analysis and fast Fourier transform dipole autocorrelation function.
J. Comput. Chem., 2018

2007
Mechanochemical Coupling in the Myosin Motor Domain. I. Insights from Equilibrium Active-Site Simulations.
PLoS Comput. Biol., 2007

Mechanochemical Coupling in the Myosin Motor Domain. II. Analysis of Critical Residues.
PLoS Comput. Biol., 2007

2006
Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models.
J. Comput. Chem., 2006

2005
Accounting for polarization in molecular simulation.
Comput. Phys. Commun., 2005

2001
Design of new selective inhibitors of cyclooxygenase-2 by dynamic assembly of molecular building blocks.
J. Comput. Aided Mol. Des., 2001


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