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Chimica Farmaceutica e Tossicologica 3

Chimica Farmaceutica e Tossicologica 3

  1. Home
  2. Courses
  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

    • EsercitazioniEsercitazioni
      • 3-D QSAR3-D QSAR
        • 3-D_QSAR.Tutorial.pdf3-D_QSAR.Tutorial.pdf
      • Chimera_ChemaxonChimera_Chemaxon
        • 1.Chimera_and_Marvin-Sketch.pdf1.Chimera_and_Marvin-Sketch.pdf
        • 1.Chimera.GettingStarted.pdf1.Chimera.GettingStarted.pdf
        • 1.MarvinSketch User Guide.pdf1.MarvinSketch User Guide.pdf
        • 1.UCSF Chimera--a visualization system for exploratory research and analysis.pdf1.UCSF Chimera--a visualization system for exploratory research and analysis.pdf
      • Molecular DockingMolecular Docking
        • 1CWA.zip1CWA.zip
        • 5ADA.zip5ADA.zip
        • config.CA.txtconfig.CA.txt
        • config.txtconfig.txt
        • Mol2_to_PDBQT.pdfMol2_to_PDBQT.pdf
        • MolecularDocking_Chimera-Vina.pdfMolecularDocking_Chimera-Vina.pdf
        • Programmi.zipProgrammi.zip
      • QSAR-MLRQSAR-MLR
        • 2014.Rating of sweetness by molar refractivity and ionization potential.pdf2014.Rating of sweetness by molar refractivity and ionization potential.pdf
        • GnumericPortable_1.12.17.paf.exeGnumericPortable_1.12.17.paf.exe
        • Rajesh.csvRajesh.csv
        • Rajesh.Student.gnumericRajesh.Student.gnumeric
        • Tutorial.QSAR-MLR.pdfTutorial.QSAR-MLR.pdf
      • QSAR-PLSQSAR-PLS
        • 15.Lez_2019-10-25.QSAR-PLS.pdf15.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.pdf2011.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.pdf2018.acs.jmedchem.7b01342.Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective PAK4 Inhibitors.pdf
        • jm7b01342_si_002.csvjm7b01342_si_002.csv
        • jm7b01342_si_002.xlsjm7b01342_si_002.xls
        • OCHEM_links.txtOCHEM_links.txt
        • OCHEM.mp4OCHEM.mp4
        • OCHEM.PresentationAtChemAxonUserGroupMeeting.2011.mp4OCHEM.PresentationAtChemAxonUserGroupMeeting.2011.mp4
    • Lezioni_2018-2019Lezioni_2018-2019
      • MaterialeBibliograficoMaterialeBibliografico
        • 1970.The assumptions of the linear regression model.pdf1970.The assumptions of the linear regression model.pdf
        • 1979.Chance factors in studies of quantitative structure-activity relationships.pdf1979.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.pdf1984.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.pdf1985.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.pdf1988.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.pdf1988.SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules.pdf
        • 2002.Beware of q2.pdf2002.Beware of q2.pdf
        • 2007.Principles of QSAR models validation. internal and external.pdf2007.Principles of QSAR models validation. internal and external.pdf
        • 2008.Virtual Screening. A Fast Tool for Drug Design.pdf2008.Virtual Screening. A Fast Tool for Drug Design.pdf
        • 2010.DOCKING METHODS.pdf2010.DOCKING METHODS.pdf
      • 00ab.Lipinsky_RuleOfFive.pdf00ab.Lipinsky_RuleOfFive.pdf
      • 00ac.Lipinsky_RuleOfFive.pdf00ac.Lipinsky_RuleOfFive.pdf
      • 00ad.Lipinsky_RuleOfFive.pdf00ad.Lipinsky_RuleOfFive.pdf
      • 00ae.Veber.pdf00ae.Veber.pdf
      • 00af.PSA.pdf00af.PSA.pdf
      • 00ag.PSA.pdf00ag.PSA.pdf
      • 00ah.RuleOfThree.pdf00ah.RuleOfThree.pdf
      • 04.Intro-LBDD-3D_QSAR.20171023.1.pdf04.Intro-LBDD-3D_QSAR.20171023.1.pdf
      • 05.Intro-LBDD-3D_QSAR.20171025.2.pdf05.Intro-LBDD-3D_QSAR.20171025.2.pdf
      • 06.Pharmacophore_Approaches.pdf06.Pharmacophore_Approaches.pdf
      • 06.QSAR.20171030.pdf06.QSAR.20171030.pdf
      • 08.MolecularAlignment.20171113.pdf08.MolecularAlignment.20171113.pdf
      • 09.QSAR.20171113.pdf09.QSAR.20171113.pdf
      • 10.SBDD_Overview.20171122.pdf10.SBDD_Overview.20171122.pdf
      • 11.MolecularDocking.20171128.pdf11.MolecularDocking.20171128.pdf
    • Lezioni_2019-2020Lezioni_2019-2020
      • 01.Lez_2019-10-07.SMILES.pdf01.Lez_2019-10-07.SMILES.pdf
      • 02.Intro-LBDD-3D_QSAR.1.pdf02.Intro-LBDD-3D_QSAR.1.pdf
      • 03.Intro-LBDD-3D_QSAR.2.pdf03.Intro-LBDD-3D_QSAR.2.pdf
      • 04.Lez_2019-11-04.QSAR.PracticalSession04.Lez_2019-11-04.QSAR.PracticalSession
      • 05.Lez_2019-11-05.3-D_QSAR.LiveDemonstration05.Lez_2019-11-05.3-D_QSAR.LiveDemonstration
      • 06.Lez_2019-11-18.3-D_QSAR.PracticalSession06.Lez_2019-11-18.3-D_QSAR.PracticalSession
      • 07.Lez_2019-11-19.Farmacoforo.DimostrazioneConLigandScout.pdf07.Lez_2019-11-19.Farmacoforo.DimostrazioneConLigandScout.pdf
      • 08.Lez_2019-11-25.FarmacoforoConLigandScoutInPratica08.Lez_2019-11-25.FarmacoforoConLigandScoutInPratica
      • 09.Lez_2019-10-26.QSAR-PLS.pdf09.Lez_2019-10-26.QSAR-PLS.pdf
      • 10.Lez_2019-12-02.Molecular Similarity.pdf10.Lez_2019-12-02.Molecular Similarity.pdf
      • 11.SBDD_Docking.20191203.pdf11.SBDD_Docking.20191203.pdf
      • 12.Lez_2019-12-09.DockingMolecolareInPratica12.Lez_2019-12-09.DockingMolecolareInPratica
    • Lezioni_2020-2021Lezioni_2020-2021
      • 01.SMILES.20201008.pdf01.SMILES.20201008.pdf
      • 02.Intro-LBDD-3D_QSAR.20201015.pdf02.Intro-LBDD-3D_QSAR.20201015.pdf
      • 03.Intro-LBDD-3D_QSAR.20201022.pdf03.Intro-LBDD-3D_QSAR.20201022.pdf
      • 04.3-D_QSAR_AnalisiConformazionale.PracticalSession.20201029.txt04.3-D_QSAR_AnalisiConformazionale.PracticalSession.20201029.txt
      • 05.QSAR.PracticalSession.20201105.txt05.QSAR.PracticalSession.20201105.txt
      • 06.3-D_QSAR.LiveDemonstration.20201112.txt06.3-D_QSAR.LiveDemonstration.20201112.txt
      • 07.Farmacoforo.DimostrazioneConLigandScout.20201119.pdf07.Farmacoforo.DimostrazioneConLigandScout.20201119.pdf
      • 07.Lez_20201119.Pharmacophore_Approaches.pdf07.Lez_20201119.Pharmacophore_Approaches.pdf
      • 08.QSAR-PLS.20201126.pdf08.QSAR-PLS.20201126.pdf
      • 09.MolecularSimilarity.20201203.pdf09.MolecularSimilarity.20201203.pdf
      • 10.DockingValidation.20201210.pdf10.DockingValidation.20201210.pdf
      • 10.SBDD_Docking.20201210.pdf10.SBDD_Docking.20201210.pdf
      • 10.SBDD_Overview.20201210.pdf10.SBDD_Overview.20201210.pdf
      • 11.DockingMolecolareInPratica3DQSAR.20201215.txt11.DockingMolecolareInPratica3DQSAR.20201215.txt
      • 12.DockingMolecolareInPraticaCOMBINE.20201217.txt12.DockingMolecolareInPraticaCOMBINE.20201217.txt
    • PDF.ArticoliSupportoPDF.ArticoliSupporto
      • 00ab.Lipinsky_RuleOfFive.pdf00ab.Lipinsky_RuleOfFive.pdf
      • 00ac.Lipinsky_RuleOfFive.pdf00ac.Lipinsky_RuleOfFive.pdf
      • 00ad.Lipinsky_RuleOfFive.pdf00ad.Lipinsky_RuleOfFive.pdf
      • 00ae.Veber.pdf00ae.Veber.pdf
      • 00af.PSA.pdf00af.PSA.pdf
      • 00ag.PSA.pdf00ag.PSA.pdf
      • 00ah.RuleOfThree.pdf00ah.RuleOfThree.pdf
      • 1970.The assumptions of the linear regression model.pdf1970.The assumptions of the linear regression model.pdf
      • 1979.Chance factors in studies of quantitative structure-activity relationships.pdf1979.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.pdf1984.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.pdf1985.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.pdf1988.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.pdf1988.SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules.pdf
      • 2002.Beware of q2.pdf2002.Beware of q2.pdf
      • 2007.Principles of QSAR models validation. internal and external.pdf2007.Principles of QSAR models validation. internal and external.pdf
      • 2008.Virtual Screening. A Fast Tool for Drug Design.pdf2008.Virtual Screening. A Fast Tool for Drug Design.pdf
      • 2010.DOCKING METHODS.pdf2010.DOCKING METHODS.pdf
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