List of works - Flavio Ballante

2-(Alkyl/aryl)amino-6-benzylpyrimidin-4(3H)-ones as inhibitors of wild-type and mutant HIV-1: enantioselectivity studies

scientific article

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

scientific article

Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?

scientific article published on 13 May 2021

Comprehensive model of wild-type and mutant HIV-1 reverse transciptases.

scientific article

Design and Synthesis of Simplified Largazole Analogues as Isoform-Selective Human Lysine Deacetylase Inhibitors

scientific article published on 07 January 2016

Design and synthesis of benzodiazepine analogs as isoform-selective human lysine deacetylase inhibitors.

scientific article published on 18 December 2016

Design, synthesis and biological evaluation of new classes of thieno[3,2-d]pyrimidinone and thieno[1,2,3]triazine as inhibitor of vascular endothelial growth factor receptor-2 (VEGFR-2).

scientific article published on 19 March 2013

Docking Finds GPCR Ligands in Dark Chemical Matter

scientific article published on 13 January 2020

Exploring the role of 2-chloro-6-fluoro substitution in 2-alkylthio-6-benzyl-5-alkylpyrimidin-4(3H)-ones: effects in HIV-1-infected cells and in HIV-1 reverse transcriptase enzymes

scientific article

Histone Deacetylase Inhibitors: Structure-Based Modeling and Isoform-Selectivity Prediction ⬇️

scientific article published on July 19, 2012

Hsp90 inhibitors, part 1: definition of 3-D QSAutogrid/R models as a tool for virtual screening.

scientific article

Hsp90 inhibitors, part 2: combining ligand-based and structure-based approaches for virtual screening application

scientific article published on 04 March 2014

Limiting Assumptions in the Design of Peptidomimetics

scientific article

Pharmacophore Assessment Through 3-D QSAR: Evaluation of the Predictive Ability on New Derivatives by the Application on a Series of Antitubercular Agents

scientific article published on 17 May 2013

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

scientific article published on 01 January 2018

Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy.

scientific article published on 13 February 2017

Vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors: development and validation of predictive 3-D QSAR models through extensive ligand- and structure-based approaches

scientific article published on 21 July 2015

List of works by Flavio Ballante

2-(Alkyl/aryl)amino-6-benzylpyrimidin-4(3H)-ones as inhibitors of wild-type and mutant HIV-1: enantioselectivity studies

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

Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?

Comprehensive model of wild-type and mutant HIV-1 reverse transciptases.

Design and Synthesis of Simplified Largazole Analogues as Isoform-Selective Human Lysine Deacetylase Inhibitors

Design and synthesis of benzodiazepine analogs as isoform-selective human lysine deacetylase inhibitors.

Design, synthesis and biological evaluation of new classes of thieno[3,2-d]pyrimidinone and thieno[1,2,3]triazine as inhibitor of vascular endothelial growth factor receptor-2 (VEGFR-2).

Docking Finds GPCR Ligands in Dark Chemical Matter

Exploring the role of 2-chloro-6-fluoro substitution in 2-alkylthio-6-benzyl-5-alkylpyrimidin-4(3H)-ones: effects in HIV-1-infected cells and in HIV-1 reverse transcriptase enzymes

Histone Deacetylase Inhibitors: Structure-Based Modeling and Isoform-Selectivity Prediction ⬇️

Hsp90 inhibitors, part 1: definition of 3-D QSAutogrid/R models as a tool for virtual screening.

Hsp90 inhibitors, part 2: combining ligand-based and structure-based approaches for virtual screening application

Limiting Assumptions in the Design of Peptidomimetics

Pharmacophore Assessment Through 3-D QSAR: Evaluation of the Predictive Ability on New Derivatives by the Application on a Series of Antitubercular Agents

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

Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy.

Vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors: development and validation of predictive 3-D QSAR models through extensive ligand- and structure-based approaches