Author

P. Mahinthichaichan

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 Biochemistry· 2

Signature Assays, Organisms & Methods

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Approach:deep learning· 3 Research Focus:drug response / drug discovery· 2 Approach:mechanistic / dynamical model· 2 Approach:statistical model· 2 Approach:experimental assay· 1 Organism:human· 1 Research Focus:protein folding & dynamics· 1 Assay:protein structure· 1

Frequent Co-Authors

J. Shen· 4 shared C. R. Ellis· 3 shared Q. N. Vo· 3 shared D. M. Morris· 1 shared E. Tajkhorshid· 1 shared G. J. Jensen· 1 shared J. Clayton· 1 shared L. Stavitskaya· 1 shared

Activity by Year

2018-2023 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 15 mutual co-author links

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4 shared papersBiophysics

J. Shen

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Author profile →

5 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

An Integrative Approach to Dissect the Drug Resistance Mechanism of the H172Y Mutation of SARS-CoV-2 Main Protease

J. Clayton, V. M. de Oliveira, M. F. Ibrahim, X. Sun, P. Mahinthichaichan, M. Shen, R. Hilgenfeld, J. Shen

This study investigates how the H172Y mutation in SARS-CoV-2 Mpro reduces nirmatrelvir efficacy using simulations, AI, and experiments, revealing structural and functional changes in the enzyme.

bioRxiv · Jul 31, 2022Biochemistry

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

Selective Permeability of Carboxysome Shell Pores to Anionic Molecules

P. Mahinthichaichan, D. M. Morris, Y. Wang, G. J. Jensen, E. Tajkhorshid

The paper uses molecular dynamics simulations to study the permeability of carboxysome shell pores to anionic molecules, confirming selective permeability to [Formula] over O2.

bioRxiv · Jul 11, 2018Biochemistry