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Flavio Ballante
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2020 – today
- 2021
- [j9]Jon Kapla
, Ismael Rodriguez-Espigares
, Flavio Ballante
, Jana Selent
, Jens Carlsson
:
Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models? PLoS Comput. Biol. 17(5) (2021)
2010 – 2019
- 2016
- [j8]Flavio Ballante
, Garland R. Marshall
:
An Automated Strategy for Binding-Pose Selection and Docking Assessment in Structure-Based Drug Design. J. Chem. Inf. Model. 56(1): 54-72 (2016) - 2015
- [j7]Rino Ragno
, Flavio Ballante
, Adele Pirolli, Richard B. Wickersham III, Alexandros Patsilinakos
, Stéphanie Hesse, Enrico Perspicace, Gilbert Kirsch:
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. J. Comput. Aided Mol. Des. 29(8): 757-776 (2015) - 2014
- [j6]Flavio Ballante
, Antonia Caroli, Richard B. Wickersham III, Rino Ragno
:
Hsp90 Inhibitors, Part 1: Definition of 3-D QSAutogrid/R Models as a Tool for Virtual Screening. J. Chem. Inf. Model. 54(3): 956-969 (2014) - [j5]Antonia Caroli, Flavio Ballante
, Richard B. Wickersham III, Federico Corelli, Rino Ragno
:
Hsp90 Inhibitors, Part 2: Combining Ligand-Based and Structure-Based Approaches for Virtual Screening Application. J. Chem. Inf. Model. 54(3): 970-977 (2014) - 2013
- [j4]Laura Friggeri, Flavio Ballante
, Rino Ragno
, Ira Musmuca, Daniela de Vita
, Fabrizio Manetti
, Mariangela Biava, Luigi Scipione, Roberto Di Santo, Roberta Costi, Marta Feroci
, Silvano Tortorella:
Pharmacophore Assessment Through 3-D QSAR: Evaluation of the Predictive Ability on New Derivatives by the Application on a Series of Antitubercular Agents. J. Chem. Inf. Model. 53(6): 1463-1474 (2013) - 2012
- [j3]Flavio Ballante
, Ira Musmuca, Garland R. Marshall
, Rino Ragno
:
Comprehensive model of wild-type and mutant HIV-1 reverse transciptases. J. Comput. Aided Mol. Des. 26(8): 907-919 (2012) - [j2]Flavio Ballante
, Rino Ragno
:
3-D QSAutogrid/R: An Alternative Procedure To Build 3-D QSAR Models. Methodologies and Applications. J. Chem. Inf. Model. 52(6): 1674-1685 (2012) - [j1]Laura Silvestri
, Flavio Ballante
, Antonello Mai
, Garland R. Marshall
, Rino Ragno
:
Histone Deacetylase Inhibitors: Structure-Based Modeling and Isoform-Selectivity Prediction. J. Chem. Inf. Model. 52(8): 2215-2235 (2012)
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