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Documentazione Moodle

Chimica Farmaceutica e Tossicologica 3

Chimica Farmaceutica e Tossicologica 3

  1. Home
  2. Corsi
  3. Lauree triennali, magistrali, a ciclo unico
  4. Farmacia e Medicina
  5. Area Farmaceutica
  6. Lauree Magistrali a ciclo unico
  7. Chimica e Tecnologia Farmaceutiche
  8. IV Anno I Semestre
  9. Farma 3
  10. Esercitazioni Computazionali
  11. Materiale Didattico

Materiale Didattico

Aggregazione dei criteri
    • Esercitazioni Esercitazioni
      • 3-D QSAR 3-D QSAR
        • 3-D_QSAR.Tutorial.pdf 3-D_QSAR.Tutorial.pdf
      • Chimera_Chemaxon Chimera_Chemaxon
        • 1.Chimera_and_Marvin-Sketch.pdf 1.Chimera_and_Marvin-Sketch.pdf
        • 1.Chimera.GettingStarted.pdf 1.Chimera.GettingStarted.pdf
        • 1.MarvinSketch User Guide.pdf 1.MarvinSketch User Guide.pdf
        • 1.UCSF Chimera--a visualization system for exploratory research and analysis.pdf 1.UCSF Chimera--a visualization system for exploratory research and analysis.pdf
      • Molecular Docking Molecular Docking
        • 1CWA.zip 1CWA.zip
        • 5ADA.zip 5ADA.zip
        • config.CA.txt config.CA.txt
        • config.txt config.txt
        • Mol2_to_PDBQT.pdf Mol2_to_PDBQT.pdf
        • MolecularDocking_Chimera-Vina.pdf MolecularDocking_Chimera-Vina.pdf
        • Programmi.zip Programmi.zip
      • QSAR-MLR QSAR-MLR
        • 2014.Rating of sweetness by molar refractivity and ionization potential.pdf 2014.Rating of sweetness by molar refractivity and ionization potential.pdf
        • GnumericPortable_1.12.17.paf.exe GnumericPortable_1.12.17.paf.exe
        • Rajesh.csv Rajesh.csv
        • Rajesh.Student.gnumeric Rajesh.Student.gnumeric
        • Tutorial.QSAR-MLR.pdf Tutorial.QSAR-MLR.pdf
      • QSAR-PLS QSAR-PLS
        • 15.Lez_2019-10-25.QSAR-PLS.pdf 15.Lez_2019-10-25.QSAR-PLS.pdf
        • 2011.Online chemical modeling environment (OCHEM). web platform for data storage, model development and publishing of chemical information.pdf 2011.Online chemical modeling environment (OCHEM). web platform for data storage, model development and publishing of chemical information.pdf
        • 2018.acs.jmedchem.7b01342.Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective PAK4 Inhibitors.pdf 2018.acs.jmedchem.7b01342.Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective PAK4 Inhibitors.pdf
        • jm7b01342_si_002.csv jm7b01342_si_002.csv
        • jm7b01342_si_002.xls jm7b01342_si_002.xls
        • OCHEM_links.txt OCHEM_links.txt
        • OCHEM.mp4 OCHEM.mp4
        • OCHEM.PresentationAtChemAxonUserGroupMeeting.2011.mp4 OCHEM.PresentationAtChemAxonUserGroupMeeting.2011.mp4
    • Lezioni_2018-2019 Lezioni_2018-2019
      • MaterialeBibliografico MaterialeBibliografico
        • 1970.The assumptions of the linear regression model.pdf 1970.The assumptions of the linear regression model.pdf
        • 1979.Chance factors in studies of quantitative structure-activity relationships.pdf 1979.Chance factors in studies of quantitative structure-activity relationships.pdf
        • 1984.The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses.pdf 1984.The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses.pdf
        • 1985.A computational procedure for determining energetically favorable binding sites on biologically important macromolecules.pdf 1985.A computational procedure for determining energetically favorable binding sites on biologically important macromolecules.pdf
        • 1988.Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.pdf 1988.Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.pdf
        • 1988.SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules.pdf 1988.SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules.pdf
        • 2002.Beware of q2.pdf 2002.Beware of q2.pdf
        • 2007.Principles of QSAR models validation. internal and external.pdf 2007.Principles of QSAR models validation. internal and external.pdf
        • 2008.Virtual Screening. A Fast Tool for Drug Design.pdf 2008.Virtual Screening. A Fast Tool for Drug Design.pdf
        • 2010.DOCKING METHODS.pdf 2010.DOCKING METHODS.pdf
      • 00ab.Lipinsky_RuleOfFive.pdf 00ab.Lipinsky_RuleOfFive.pdf
      • 00ac.Lipinsky_RuleOfFive.pdf 00ac.Lipinsky_RuleOfFive.pdf
      • 00ad.Lipinsky_RuleOfFive.pdf 00ad.Lipinsky_RuleOfFive.pdf
      • 00ae.Veber.pdf 00ae.Veber.pdf
      • 00af.PSA.pdf 00af.PSA.pdf
      • 00ag.PSA.pdf 00ag.PSA.pdf
      • 00ah.RuleOfThree.pdf 00ah.RuleOfThree.pdf
      • 04.Intro-LBDD-3D_QSAR.20171023.1.pdf 04.Intro-LBDD-3D_QSAR.20171023.1.pdf
      • 05.Intro-LBDD-3D_QSAR.20171025.2.pdf 05.Intro-LBDD-3D_QSAR.20171025.2.pdf
      • 06.Pharmacophore_Approaches.pdf 06.Pharmacophore_Approaches.pdf
      • 06.QSAR.20171030.pdf 06.QSAR.20171030.pdf
      • 08.MolecularAlignment.20171113.pdf 08.MolecularAlignment.20171113.pdf
      • 09.QSAR.20171113.pdf 09.QSAR.20171113.pdf
      • 10.SBDD_Overview.20171122.pdf 10.SBDD_Overview.20171122.pdf
      • 11.MolecularDocking.20171128.pdf 11.MolecularDocking.20171128.pdf
    • Lezioni_2019-2020 Lezioni_2019-2020
      • 01.Lez_2019-10-07.SMILES.pdf 01.Lez_2019-10-07.SMILES.pdf
      • 02.Intro-LBDD-3D_QSAR.1.pdf 02.Intro-LBDD-3D_QSAR.1.pdf
      • 03.Intro-LBDD-3D_QSAR.2.pdf 03.Intro-LBDD-3D_QSAR.2.pdf
      • 04.Lez_2019-11-04.QSAR.PracticalSession 04.Lez_2019-11-04.QSAR.PracticalSession
      • 05.Lez_2019-11-05.3-D_QSAR.LiveDemonstration 05.Lez_2019-11-05.3-D_QSAR.LiveDemonstration
      • 06.Lez_2019-11-18.3-D_QSAR.PracticalSession 06.Lez_2019-11-18.3-D_QSAR.PracticalSession
      • 07.Lez_2019-11-19.Farmacoforo.DimostrazioneConLigandScout.pdf 07.Lez_2019-11-19.Farmacoforo.DimostrazioneConLigandScout.pdf
      • 08.Lez_2019-11-25.FarmacoforoConLigandScoutInPratica 08.Lez_2019-11-25.FarmacoforoConLigandScoutInPratica
      • 09.Lez_2019-10-26.QSAR-PLS.pdf 09.Lez_2019-10-26.QSAR-PLS.pdf
      • 10.Lez_2019-12-02.Molecular Similarity.pdf 10.Lez_2019-12-02.Molecular Similarity.pdf
      • 11.SBDD_Docking.20191203.pdf 11.SBDD_Docking.20191203.pdf
      • 12.Lez_2019-12-09.DockingMolecolareInPratica 12.Lez_2019-12-09.DockingMolecolareInPratica
    • Lezioni_2020-2021 Lezioni_2020-2021
      • 01.SMILES.20201008.pdf 01.SMILES.20201008.pdf
      • 02.Intro-LBDD-3D_QSAR.20201015.pdf 02.Intro-LBDD-3D_QSAR.20201015.pdf
      • 03.Intro-LBDD-3D_QSAR.20201022.pdf 03.Intro-LBDD-3D_QSAR.20201022.pdf
      • 04.3-D_QSAR_AnalisiConformazionale.PracticalSession.20201029.txt 04.3-D_QSAR_AnalisiConformazionale.PracticalSession.20201029.txt
      • 05.QSAR.PracticalSession.20201105.txt 05.QSAR.PracticalSession.20201105.txt
      • 06.3-D_QSAR.LiveDemonstration.20201112.txt 06.3-D_QSAR.LiveDemonstration.20201112.txt
      • 07.Farmacoforo.DimostrazioneConLigandScout.20201119.pdf 07.Farmacoforo.DimostrazioneConLigandScout.20201119.pdf
      • 07.Lez_20201119.Pharmacophore_Approaches.pdf 07.Lez_20201119.Pharmacophore_Approaches.pdf
      • 08.QSAR-PLS.20201126.pdf 08.QSAR-PLS.20201126.pdf
      • 09.MolecularSimilarity.20201203.pdf 09.MolecularSimilarity.20201203.pdf
      • 10.DockingValidation.20201210.pdf 10.DockingValidation.20201210.pdf
      • 10.SBDD_Docking.20201210.pdf 10.SBDD_Docking.20201210.pdf
      • 10.SBDD_Overview.20201210.pdf 10.SBDD_Overview.20201210.pdf
      • 11.DockingMolecolareInPratica3DQSAR.20201215.txt 11.DockingMolecolareInPratica3DQSAR.20201215.txt
      • 12.DockingMolecolareInPraticaCOMBINE.20201217.txt 12.DockingMolecolareInPraticaCOMBINE.20201217.txt
    • PDF.ArticoliSupporto PDF.ArticoliSupporto
      • 00ab.Lipinsky_RuleOfFive.pdf 00ab.Lipinsky_RuleOfFive.pdf
      • 00ac.Lipinsky_RuleOfFive.pdf 00ac.Lipinsky_RuleOfFive.pdf
      • 00ad.Lipinsky_RuleOfFive.pdf 00ad.Lipinsky_RuleOfFive.pdf
      • 00ae.Veber.pdf 00ae.Veber.pdf
      • 00af.PSA.pdf 00af.PSA.pdf
      • 00ag.PSA.pdf 00ag.PSA.pdf
      • 00ah.RuleOfThree.pdf 00ah.RuleOfThree.pdf
      • 1970.The assumptions of the linear regression model.pdf 1970.The assumptions of the linear regression model.pdf
      • 1979.Chance factors in studies of quantitative structure-activity relationships.pdf 1979.Chance factors in studies of quantitative structure-activity relationships.pdf
      • 1984.The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses.pdf 1984.The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses.pdf
      • 1985.A computational procedure for determining energetically favorable binding sites on biologically important macromolecules.pdf 1985.A computational procedure for determining energetically favorable binding sites on biologically important macromolecules.pdf
      • 1988.Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.pdf 1988.Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.pdf
      • 1988.SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules.pdf 1988.SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules.pdf
      • 2002.Beware of q2.pdf 2002.Beware of q2.pdf
      • 2007.Principles of QSAR models validation. internal and external.pdf 2007.Principles of QSAR models validation. internal and external.pdf
      • 2008.Virtual Screening. A Fast Tool for Drug Design.pdf 2008.Virtual Screening. A Fast Tool for Drug Design.pdf
      • 2010.DOCKING METHODS.pdf 2010.DOCKING METHODS.pdf
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