Materiale Didattico
Esercitazioni
3-D QSAR
Chimera_Chemaxon
Molecular Docking
QSAR-MLR
QSAR-PLS
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
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.xls
OCHEM_links.txt
OCHEM.mp4
OCHEM.PresentationAtChemAxonUserGroupMeeting.2011.mp4
Lezioni_2018-2019
MaterialeBibliografico
1970.The assumptions of the linear regression model.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
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.SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules.pdf
2002.Beware of q2.pdf
2007.Principles of QSAR models validation. internal and external.pdf
2008.Virtual Screening. A Fast Tool for Drug Design.pdf
2010.DOCKING METHODS.pdf
00ab.Lipinsky_RuleOfFive.pdf
00ac.Lipinsky_RuleOfFive.pdf
00ad.Lipinsky_RuleOfFive.pdf
00ae.Veber.pdf
00af.PSA.pdf
00ag.PSA.pdf
00ah.RuleOfThree.pdf
04.Intro-LBDD-3D_QSAR.20171023.1.pdf
05.Intro-LBDD-3D_QSAR.20171025.2.pdf
06.Pharmacophore_Approaches.pdf
06.QSAR.20171030.pdf
08.MolecularAlignment.20171113.pdf
09.QSAR.20171113.pdf
10.SBDD_Overview.20171122.pdf
11.MolecularDocking.20171128.pdf
Lezioni_2019-2020
01.Lez_2019-10-07.SMILES.pdf
02.Intro-LBDD-3D_QSAR.1.pdf
03.Intro-LBDD-3D_QSAR.2.pdf
04.Lez_2019-11-04.QSAR.PracticalSession
05.Lez_2019-11-05.3-D_QSAR.LiveDemonstration
06.Lez_2019-11-18.3-D_QSAR.PracticalSession
07.Lez_2019-11-19.Farmacoforo.DimostrazioneConLigandScout.pdf
08.Lez_2019-11-25.FarmacoforoConLigandScoutInPratica
09.Lez_2019-10-26.QSAR-PLS.pdf
10.Lez_2019-12-02.Molecular Similarity.pdf
11.SBDD_Docking.20191203.pdf
12.Lez_2019-12-09.DockingMolecolareInPratica
Lezioni_2020-2021
01.SMILES.20201008.pdf
02.Intro-LBDD-3D_QSAR.20201015.pdf
03.Intro-LBDD-3D_QSAR.20201022.pdf
04.3-D_QSAR_AnalisiConformazionale.PracticalSession.20201029.txt
05.QSAR.PracticalSession.20201105.txt
06.3-D_QSAR.LiveDemonstration.20201112.txt
07.Farmacoforo.DimostrazioneConLigandScout.20201119.pdf
07.Lez_20201119.Pharmacophore_Approaches.pdf
08.QSAR-PLS.20201126.pdf
09.MolecularSimilarity.20201203.pdf
10.DockingValidation.20201210.pdf
10.SBDD_Docking.20201210.pdf
10.SBDD_Overview.20201210.pdf
11.DockingMolecolareInPratica3DQSAR.20201215.txt
12.DockingMolecolareInPraticaCOMBINE.20201217.txt
PDF.ArticoliSupporto
00ab.Lipinsky_RuleOfFive.pdf
00ac.Lipinsky_RuleOfFive.pdf
00ad.Lipinsky_RuleOfFive.pdf
00ae.Veber.pdf
00af.PSA.pdf
00ag.PSA.pdf
00ah.RuleOfThree.pdf
1970.The assumptions of the linear regression model.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
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.SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules.pdf
2002.Beware of q2.pdf
2007.Principles of QSAR models validation. internal and external.pdf
2008.Virtual Screening. A Fast Tool for Drug Design.pdf
2010.DOCKING METHODS.pdf