| Structure-based virtual screening for ligands of G protein–coupled receptors: what can molecular docking do for you? F Ballante, AJ Kooistra, S Kampen, C de Graaf, J Carlsson Pharmacological Reviews 73 (4), 1698-1736, 2021 | 91 | 2021 |
| 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 … E Perspicace, V Jouan-Hureaux, R Ragno, F Ballante, S Sartini, ... European journal of medicinal chemistry 63, 765-781, 2013 | 71 | 2013 |
| An automated strategy for binding-pose selection and docking assessment in structure-based drug design F Ballante, GR Marshall Journal of Chemical Information and Modeling 56 (1), 54-72, 2016 | 55 | 2016 |
| 2-(Alkyl/Aryl)Amino-6-Benzylpyrimidin-4(3H)-ones as Inhibitors of Wild-Type and Mutant HIV-1: Enantioselectivity Studies D Rotili, A Samuele, D Tarantino, R Ragno, I Musmuca, F Ballante, ... Journal of Medicinal Chemistry 55 (7), 3558-3562, 2012 | 45 | 2012 |
| 3-D QSAutogrid/R: An Alternative Procedure To Build 3-D QSAR Models. Methodologies and Applications. F Ballante, R Ragno Journal of chemical information and modeling 52 (6), 1674, 2012 | 44 | 2012 |
| Design and synthesis of simplified largazole analogues as isoform-selective human lysine deacetylase inhibitors DN Reddy, F Ballante, T Chuang, A Pirolli, B Marrocco, GR Marshall Journal of Medicinal Chemistry 59 (4), 1613-1633, 2016 | 36 | 2016 |
| Histone Deacetylase Inhibitors: Structure-Based Modeling and Isoform-Selectivity Prediction L Silvestri, F Ballante, A Mai, GR Marshall, R Ragno Journal of Chemical Information and Modeling, 2012 | 31 | 2012 |
| Hsp90 inhibitors, part 2: combining ligand-based and structure-based approaches for virtual screening application A Caroli, F Ballante, RB Wickersham III, F Corelli, R Ragno Journal of chemical information and modeling 54 (3), 970-977, 2014 | 30 | 2014 |
| Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models? J Kapla, I Rodríguez-Espigares, F Ballante, J Selent, J Carlsson PLoS Computational Biology 17 (5), e1008936, 2021 | 25 | 2021 |
| Limiting Assumptions in the Design of Peptidomimetics GR Marshall, F Ballante Drug Development Research 78 (6), 245–267, 2017 | 25 | 2017 |
| Design and synthesis of benzodiazepine analogs as isoform-selective human lysine deacetylase inhibitors DR Reddy, F Ballante, NJ Zhou, GR Marshall European Journal of Medicinal Chemistry 127, 531-553, 2017 | 23 | 2017 |
| Docking finds GPCR ligands in dark chemical matter F Ballante, A Rudling, A Zeifman, A Luttens, DD Vo, JJ Irwin, J Kihlberg, ... Journal of Medicinal Chemistry 63 (2), 613-620, 2019 | 19 | 2019 |
| 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 … D Rotili, D Tarantino, MB Nawrozkij, AS Babushkin, G Botta, B Marrocco, ... Journal of Medicinal Chemistry 57 (12), 5212-5225, 2014 | 19 | 2014 |
| Protein-ligand docking in drug design: performance assessment and binding-pose selection F Ballante Rational drug design: methods and protocols, 67-88, 2018 | 17 | 2018 |
| Comprehensive model of wild-type and mutant HIV-1 reverse transciptases F Ballante, I Musmuca, GR Marshall, R Ragno Journal of Computer-Aided Molecular Design, 1-13, 2012 | 17 | 2012 |
| Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy F Ballante, DR Reddy, NJ Zhou, GR Marshall Bioorganic & Medicinal Chemistry 25 (7), 2105-2132, 2017 | 16 | 2017 |
| Hsp90 inhibitors, part 1: definition of 3-D QSAutogrid/R models as a tool for virtual screening F Ballante, A Caroli, RB Wickersham III, R Ragno Journal of Chemical Information and Modeling 54 (3), 956-969, 2014 | 16 | 2014 |
| Identification of histone deacetylase inhibitors with (arylidene) aminoxy scaffold active in uveal melanoma cell lines S Nencetti, D Cuffaro, E Nuti, L Ciccone, A Rossello, M Fabbi, F Ballante, ... Journal of Enzyme Inhibition and Medicinal Chemistry 36 (1), 34-47, 2021 | 15 | 2021 |
| Protein-Ligand Interactions and Drug Design F Ballante Methods Molecular Biology 1 (2266), XV, 327, 2021 | 13 | 2021 |
| Pharmacophore assessment through 3-D QSAR: evaluation of the predictive ability on new derivatives by the application on a series of antitubercular agents L Friggeri, F Ballante, R Ragno, I Musmuca, D De Vita, F Manetti, M Biava, ... Journal of chemical information and modeling 53 (6), 1463-1474, 2013 | 12 | 2013 |
Garland R. MarshallProfesso of Biochemistry and Molecular Biophysics, Washington University在 biochem.wustl.edu 的电子邮件经过验证
