Author

Q. N. Vo

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 3

Signature Assays, Organisms & Methods

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Approach:deep learning· 2 Research Focus:drug response / drug discovery· 1 Organism:human· 1 Approach:mechanistic / dynamical model· 1 Research Focus:protein folding & dynamics· 1 Approach:statistical model· 1 Assay:structural biology· 1

Frequent Co-Authors

C. R. Ellis· 3 shared J. Shen· 3 shared P. Mahinthichaichan· 3 shared L. Stavitskaya· 1 shared R. Liu· 1 shared

Activity by Year

2020-2023 · peak 1/yr

Co-Author Collaboration Network

5 top collaborators · 10 mutual co-author links

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3 shared papersBiophysics

C. R. Ellis

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3 papers

Recent·Most cited

Structure-Kinetics Relationships of Opioids from Metadynamics and Machine Learning

P. Mahinthichaichan, R. Liu, Q. N. Vo, C. R. Ellis, L. Stavitskaya, J. Shen

This paper estimates opioid residence times using metadynamics and develops a machine learning approach to analyze kinetic impacts of substituents on opioid binding to the mu-opioid receptor.

bioRxiv · Mar 6, 2023 · PreprintBiophysics

Kinetics and Mechanism of Fentanyl Dissociation from the mu-Opioid Receptor

P. Mahinthichaichan, Q. N. Vo, C. R. Ellis, J. Shen

This study calculates fentanyl's dissociation time from the mu-opioid receptor using molecular dynamics simulations and shows how protonation states affect binding and unbinding mechanisms.

bioRxiv · Apr 25, 2021Biophysics

How mu-Opioid Receptor Recognizes Fentanyl

Q. N. Vo, P. Mahinthichaichan, J. Shen, C. R. Ellis

This study elucidates the binding mechanism of fentanyl to the mu-opioid receptor using simulation techniques, revealing a novel secondary binding mode involving a conserved histidine.

bioRxiv · Aug 16, 2020Biophysics