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molecular environmental operations program (moe)  (Chemical Computing Group)

 
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    Chemical Computing Group molecular environmental operations program (moe)
    Pseudo-isoelectric point determination using <t>MOE</t> software. ( a ) Computational pH titration <t>of</t> <t>Ang</t> (1—7) with protomers percentages at various pHs. ( b ) Ang (1—7) major protomer 3D-structure; ( c ) Ang (1—7) minor-1 protomer 3D-structure. ( d ) Computational pH titration of PNA5 with protomers percentages at various pHs. ( e ) PNA5 major protomer 3D-structure; ( f ) PNA5 minor-1 protomer 3D-structure. ( g ) Ang (1—7) structure marked with pKas of the groups contributing to the polarity of various protomers under different pHs. * The red stars on the structures marked the positively charged groups.
    Molecular Environmental Operations Program (Moe), supplied by Chemical Computing Group, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/molecular+environmental+operations+program+%28moe%29/pmc08398878-150-13-23?v=Chemical+Computing+Group
    Average 90 stars, based on 1 article reviews
    molecular environmental operations program (moe) - by Bioz Stars, 2026-08
    90/100 stars

    Images

    1) Product Images from "Synthesis, Physicochemical Characterization, In Vitro 2D/3D Human Cell Culture, and In Vitro Aerosol Dispersion Performance of Advanced Spray Dried and Co-Spray Dried Angiotensin (1—7) Peptide and PNA5 with Trehalose as Microparticles/Nanoparticles for Targeted Respiratory Delivery as Dry Powder Inhalers"

    Article Title: Synthesis, Physicochemical Characterization, In Vitro 2D/3D Human Cell Culture, and In Vitro Aerosol Dispersion Performance of Advanced Spray Dried and Co-Spray Dried Angiotensin (1—7) Peptide and PNA5 with Trehalose as Microparticles/Nanoparticles for Targeted Respiratory Delivery as Dry Powder Inhalers

    Journal: Pharmaceutics

    doi: 10.3390/pharmaceutics13081278

    Pseudo-isoelectric point determination using MOE software. ( a ) Computational pH titration of Ang (1—7) with protomers percentages at various pHs. ( b ) Ang (1—7) major protomer 3D-structure; ( c ) Ang (1—7) minor-1 protomer 3D-structure. ( d ) Computational pH titration of PNA5 with protomers percentages at various pHs. ( e ) PNA5 major protomer 3D-structure; ( f ) PNA5 minor-1 protomer 3D-structure. ( g ) Ang (1—7) structure marked with pKas of the groups contributing to the polarity of various protomers under different pHs. * The red stars on the structures marked the positively charged groups.
    Figure Legend Snippet: Pseudo-isoelectric point determination using MOE software. ( a ) Computational pH titration of Ang (1—7) with protomers percentages at various pHs. ( b ) Ang (1—7) major protomer 3D-structure; ( c ) Ang (1—7) minor-1 protomer 3D-structure. ( d ) Computational pH titration of PNA5 with protomers percentages at various pHs. ( e ) PNA5 major protomer 3D-structure; ( f ) PNA5 minor-1 protomer 3D-structure. ( g ) Ang (1—7) structure marked with pKas of the groups contributing to the polarity of various protomers under different pHs. * The red stars on the structures marked the positively charged groups.

    Techniques Used: Software, Titration

    Solubility of Ang (1—7) and PNA5 in different solvents (mean ± standard deviation, n = 3) by experimental and computational methods.
    Figure Legend Snippet: Solubility of Ang (1—7) and PNA5 in different solvents (mean ± standard deviation, n = 3) by experimental and computational methods.

    Techniques Used: Solubility, Standard Deviation



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    molecular environmental operations program (moe)  (Chemical Computing Group)
    90
    Chemical Computing Group molecular environmental operations program (moe)
    Pseudo-isoelectric point determination using <t>MOE</t> software. ( a ) Computational pH titration <t>of</t> <t>Ang</t> (1—7) with protomers percentages at various pHs. ( b ) Ang (1—7) major protomer 3D-structure; ( c ) Ang (1—7) minor-1 protomer 3D-structure. ( d ) Computational pH titration of PNA5 with protomers percentages at various pHs. ( e ) PNA5 major protomer 3D-structure; ( f ) PNA5 minor-1 protomer 3D-structure. ( g ) Ang (1—7) structure marked with pKas of the groups contributing to the polarity of various protomers under different pHs. * The red stars on the structures marked the positively charged groups.
    Molecular Environmental Operations Program (Moe), supplied by Chemical Computing Group, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/molecular+environmental+operations+program+%28moe%29/pmc08398878-150-13-23?v=Chemical+Computing+Group
    Average 90 stars, based on 1 article reviews
    molecular environmental operations program (moe) - by Bioz Stars, 2026-08
    90/100 stars
    		  Buy from Supplier

    Image Search Results


    Pseudo-isoelectric point determination using MOE software. ( a ) Computational pH titration of Ang (1—7) with protomers percentages at various pHs. ( b ) Ang (1—7) major protomer 3D-structure; ( c ) Ang (1—7) minor-1 protomer 3D-structure. ( d ) Computational pH titration of PNA5 with protomers percentages at various pHs. ( e ) PNA5 major protomer 3D-structure; ( f ) PNA5 minor-1 protomer 3D-structure. ( g ) Ang (1—7) structure marked with pKas of the groups contributing to the polarity of various protomers under different pHs. * The red stars on the structures marked the positively charged groups.

    Journal: Pharmaceutics

    Article Title: Synthesis, Physicochemical Characterization, In Vitro 2D/3D Human Cell Culture, and In Vitro Aerosol Dispersion Performance of Advanced Spray Dried and Co-Spray Dried Angiotensin (1—7) Peptide and PNA5 with Trehalose as Microparticles/Nanoparticles for Targeted Respiratory Delivery as Dry Powder Inhalers

    doi: 10.3390/pharmaceutics13081278

    Figure Lengend Snippet: Pseudo-isoelectric point determination using MOE software. ( a ) Computational pH titration of Ang (1—7) with protomers percentages at various pHs. ( b ) Ang (1—7) major protomer 3D-structure; ( c ) Ang (1—7) minor-1 protomer 3D-structure. ( d ) Computational pH titration of PNA5 with protomers percentages at various pHs. ( e ) PNA5 major protomer 3D-structure; ( f ) PNA5 minor-1 protomer 3D-structure. ( g ) Ang (1—7) structure marked with pKas of the groups contributing to the polarity of various protomers under different pHs. * The red stars on the structures marked the positively charged groups.

    Article Snippet: Predicted solubility and lipophilicity of Ang (1—7) and PNA5 was performed using the Molecular Environmental Operations program (MOE) (Molecular Operating Environment (MOE), 2019.01; Chemical Computing Group ULC, 1010 Sherbrooke St. West, Suite #910, Montreal, QC, Canada, H3A 2R7, 2019).

    Techniques: Software, Titration

    Solubility of Ang (1—7) and PNA5 in different solvents (mean ± standard deviation, n = 3) by experimental and computational methods.

    Journal: Pharmaceutics

    Article Title: Synthesis, Physicochemical Characterization, In Vitro 2D/3D Human Cell Culture, and In Vitro Aerosol Dispersion Performance of Advanced Spray Dried and Co-Spray Dried Angiotensin (1—7) Peptide and PNA5 with Trehalose as Microparticles/Nanoparticles for Targeted Respiratory Delivery as Dry Powder Inhalers

    doi: 10.3390/pharmaceutics13081278

    Figure Lengend Snippet: Solubility of Ang (1—7) and PNA5 in different solvents (mean ± standard deviation, n = 3) by experimental and computational methods.

    Article Snippet: Predicted solubility and lipophilicity of Ang (1—7) and PNA5 was performed using the Molecular Environmental Operations program (MOE) (Molecular Operating Environment (MOE), 2019.01; Chemical Computing Group ULC, 1010 Sherbrooke St. West, Suite #910, Montreal, QC, Canada, H3A 2R7, 2019).

    Techniques: Solubility, Standard Deviation