ArticleJournal of computational chemistry2026
Characterization and Computational Engineering of Structural Elements Controlling Gas Permeability in PIP2;1 Aquaporins.
Ahmad Raeisi Najafi, Paween Mahinthichaichan, Fraser J Moss, Ardeschir Vahedi-Faridi, Walter F Boron, Emad Tajkhorshid
Abstract read
In one paragraphArticle in Journal of computational chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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What it found
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2 · The registryThe trial behind it
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4 · The recordCorrections and comments
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5 · Who and what moneyAuthors and funding
6 authors.
Ahmad Raeisi NajafiTheoretical and Computational Biophysics Group, NIH Resource for Macromolecular Modeling and Visualization, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois Urbana-Champaign, Urbana, Illinois, USA.ORCID https://orcid.org/0000-0001-5432-9440 Paween MahinthichaichanTheoretical and Computational Biophysics Group, NIH Resource for Macromolecular Modeling and Visualization, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois Urbana-Champaign, Urbana, Illinois, USA.
Fraser J MossDepartment of Physiology and Biophysics, Case Western Reserve University School of Medicine, Cleveland, Ohio, USA.
Ardeschir Vahedi-FaridiDepartment of Physiology and Biophysics, Case Western Reserve University School of Medicine, Cleveland, Ohio, USA.
Walter F BoronDepartment of Physiology and Biophysics, Case Western Reserve University School of Medicine, Cleveland, Ohio, USA.
Emad TajkhorshidTheoretical and Computational Biophysics Group, NIH Resource for Macromolecular Modeling and Visualization, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, and Center for Biophysics and Quantitative Biology, University of Illinois Urbana-Champaign, Urbana, Illinois, USA.ORCID https://orcid.org/0000-0001-8434-1010 Funding
WHOLE CELL SIMULATIONP41GM104601 · NIGMS · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI SCHULTEN, KLAUS · 2012 to 2021
$19.0MResource for Macromolecular Modeling and VisualizationR24GM145965 · NIGMS · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI Emad Tajkhorshid · 2022 to 2026
$6.2MMulti-scale modeling of gas transport through channels in living cellsU01GM111251 · NIGMS · CASE WESTERN RESERVE UNIVERSITY · PI BORON, WALTER F, SOMERSALO, ERKKI JAAKKO · 2015 to 2019
$2.9MMolecular mechanism of Na+ -coupled HCO3- transporters: transport of CO3= and CO2R01DK128315 · NIDDK · CASE WESTERN RESERVE UNIVERSITY · PI BORON, WALTER F, TAJKHORSHID, EMAD · 2021 to 2024
$2.7MMechanisms of oxygen off-loading from red blood cells in murine models of human diseaseR01HL160857 · NHLBI · CASE WESTERN RESERVE UNIVERSITY · PI BORON, WALTER F · 2022 to 2025
$2.6MMyers/Scarpa endowed chairNational Science Foundation OAC 2005572National Science Foundation Supercomputing Centers MCA06N060NHLBI NIH HHS R01 HL160857NIDDK NIH HHS R01 DK128315NIGMS NIH HHS P41 GM104601NIGMS NIH HHS R24 GM145965NIGMS NIH HHS U01 GM111251NIH HHS P41-GM104601NIH HHS R01-DK128315NIH HHS R24-GM145965NIH HHS U01-GM111251Office of Naval Research N00014-16-1-2535State of Illinois
6 · The paper itselfAbstract
Aquaporins (AQPs) are classical water channels that also conduct small gas molecules such as
Indexed as
Aquaporin 1AquaporinsGasesMolecular Dynamics SimulationPlant ProteinsAmino Acid SequenceAnimalsCattlePermeabilitySpinacia oleraceaAquaporin 1AquaporinsGasesPlant Proteins
Identifiers
PMID42033763
PMCPMC13112472
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