Publications

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2021

Protein-Ligand Interactions and Drug Design

Methods in Molecular Biology book series (MIMB, volume 2266)

Protein-Ligand Interactions and Drug Design Book

Humana, New York, NY, 2021.

Abstract | Links | BibTeX | Tags: Book, Chemoinformatics, Molecular Modeling, Protocol

2015

An Automated Strategy for Binding-Pose Selection and Docking Assessment in Structure-Based Drug Design

Flavio, Ballante; Marshall, Garland R.

An Automated Strategy for Binding-Pose Selection and Docking Assessment in Structure-Based Drug Design Journal Article

In: Journal of Chemical Information and Modeling, 56 (1), pp. 54-72, 2015.

Abstract | Links | BibTeX | Tags: Chemoinformatics, Clusterizer, DockAccessor, Docking Assessment, Molecular Docking, Molecular Modeling

2014

Application of Medicinal Chemistry Methods on Different Classes of Drugs

Flavio, Ballante

Application of Medicinal Chemistry Methods on Different Classes of Drugs PhD Thesis

Sapienza University of Rome, 2014.

Abstract | Links | BibTeX | Tags: 3-D QSAutogrid/R, 3D QSAR, Biochemistry, BSAO, Chemoinformatics, Chemometrics, COMBINEr, CoMFA, DABO, DockAccessor, Docking Assessment, HCV NS5B, HDAC, HIV-1, HIV-RT, HSP90, HUVEC, Ligand-Based Design, Molecular Docking, Molecular Modeling, MPGRS, NNRTIs, Opioid-Receptor Antagonists, Organic Chemistry, Pharmacophoric Model, PLS, Tuberculosis, VEGFR-2, Virtual Screening

2012

3-D QSAutogrid/R: An Alternative Procedure To Build 3-D QSAR Models. Methodologies and Applications

Flavio, Ballante; Rino, Ragno

3-D QSAutogrid/R: An Alternative Procedure To Build 3-D QSAR Models. Methodologies and Applications Journal Article

In: Journal of Chemical Information and Modeling, 52 (6), pp. 1674, 2012.

Abstract | Links | BibTeX | Tags: 3-D QSAutogrid/R, 3D QSAR, Chemoinformatics, Chemometrics, CoMFA, HCV NS5B, Molecular Modeling, MPGRS, Opioid-Receptor Antagonists, PLS