Publications

Show all

2018

Protein-Ligand Docking in Drug Design: Performance Assessment and Binding-Pose Selection

Ballante, Flavio

Protein-Ligand Docking in Drug Design: Performance Assessment and Binding-Pose Selection Book Chapter

In: Mavromoustakos, Thomas; Kellici, Tahsin F. (Ed.): 1824 , Chapter 5, pp. 67-88, Springer Nature, 2018, ISBN: 978-1-4939-8630-9.

Links | BibTeX | Tags: Docking Assessment, Molecular Docking, Molecular Modeling

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