Year |
Citation |
Score |
2023 |
Ballante F, Turkina MV, Ntzouni M, Magnusson KE, Vikström E. Modified N-acyl-L-homoserine lactone compounds abrogate Las-dependent quorum-sensing response in human pathogen Pseudomonas aeruginosa Frontiers in Molecular Biosciences. 10. PMID 37908228 DOI: 10.3389/fmolb.2023.1264773 |
0.389 |
|
2021 |
Ballante F, Kooistra AJ, Kampen S, de Graaf C, Carlsson J. Structure-Based Virtual Screening for Ligands of G Protein–Coupled Receptors: What Can Molecular Docking Do for You? Pharmacological Reviews. 73. PMID 34907092 DOI: 10.1124/pharmrev.120.000246 |
0.488 |
|
2021 |
Kapla J, Rodríguez-Espigares I, Ballante F, Selent J, Carlsson J. Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models? Plos Computational Biology. 17: e1008936. PMID 33983933 DOI: 10.1371/journal.pcbi.1008936 |
0.66 |
|
2021 |
Nencetti S, Cuffaro D, Nuti E, Ciccone L, Rossello A, Fabbi M, Ballante F, Ortore G, Carbotti G, Campelli F, Banti I, Gangemi R, Marshall GR, Orlandini E. Identification of histone deacetylase inhibitors with (arylidene)aminoxy scaffold active in uveal melanoma cell lines. Journal of Enzyme Inhibition and Medicinal Chemistry. 36: 34-47. PMID 33100043 DOI: 10.1080/14756366.2020.1835883 |
0.545 |
|
2021 |
Ballante F. Protein-Ligand Interactions and Drug Design Methods in Molecular Biology. 2266: XV, 327. DOI: 10.1007/978-1-0716-1209-5 |
0.333 |
|
2019 |
Ballante F, Rudling A, Zeifman A, Luttens A, Vo DD, Irwin JJ, Kihlberg J, Brea JM, Loza MI, Carlsson J. Docking finds GPCR ligands in dark chemical matter. Journal of Medicinal Chemistry. PMID 31846328 DOI: 10.1021/Acs.Jmedchem.9B01560 |
0.686 |
|
2018 |
Kennedy AJ, Ballante F, Johansson JR, Milligan G, Sundström L, Nordqvist A, Carlsson J. Structural Characterization of Agonist Binding to Protease-Activated Receptor 2 through Mutagenesis and Computational Modeling. Acs Pharmacology & Translational Science. 1: 119-133. PMID 32219208 DOI: 10.1021/acsptsci.8b00019 |
0.633 |
|
2018 |
Ballante F. Protein-Ligand Docking in Drug Design: Performance Assessment and Binding-Pose Selection Methods in Molecular Biology. 1824: 67-88. PMID 30039402 DOI: 10.1007/978-1-4939-8630-9_5 |
0.554 |
|
2017 |
Marshall GR, Ballante F. Limiting Assumptions in the Design of Peptidomimetics. Drug Development Research. PMID 28875546 DOI: 10.1002/Ddr.21406 |
0.58 |
|
2017 |
Ballante F, Reddy DR, Zhou NJ, Marshall GR. Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy. Bioorganic & Medicinal Chemistry. PMID 28259528 DOI: 10.1016/J.Bmc.2017.02.020 |
0.685 |
|
2017 |
Ballante F, Reddy DR, Zhou NJ, Marshall GR. Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy. Bioorganic & Medicinal Chemistry. 2105-2132. PMID 28259528 DOI: 10.1016/j.bmc.2017.02.020 |
0.551 |
|
2016 |
Reddy DR, Ballante F, Zhou NJ, Marshall GR. Design and synthesis of benzodiazepine analogs as isoform-selective human lysine deacetylase inhibitors. European Journal of Medicinal Chemistry. 127: 531-553. PMID 28109947 DOI: 10.1016/J.Ejmech.2016.12.032 |
0.643 |
|
2015 |
Ballante F, Marshall GR. An Automated Strategy for Binding-Pose Selection and Docking Assessment in Structure-Based Drug Design. Journal of Chemical Information and Modeling. PMID 26682916 DOI: 10.1021/Acs.Jcim.5B00603 |
0.634 |
|
2015 |
Nandarapu DR, Ballante F, Chuang T, Pirolli A, Marrocco B, Marshall GR. Design and Synthesis of Simplified Largazole Analogs as Isoform-Selective Human Lysine Deacetylase Inhibitors. Journal of Medicinal Chemistry. PMID 26681404 DOI: 10.1021/Acs.Jmedchem.5B01632 |
0.62 |
|
2015 |
Ragno R, Ballante F, Pirolli A, Wickersham RB, Patsilinakos A, Hesse S, Perspicace E, Kirsch G. 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. Journal of Computer-Aided Molecular Design. 29: 757-76. PMID 26194852 DOI: 10.1007/S10822-015-9859-Y |
0.691 |
|
2014 |
Rotili D, Tarantino D, Nawrozkij MB, Babushkin AS, Botta G, Marrocco B, Cirilli R, Menta S, Badia R, Crespan E, Ballante F, Ragno R, Esté JA, Maga G, Mai A. 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. Journal of Medicinal Chemistry. 57: 5212-25. PMID 24933420 DOI: 10.1021/Jm500284X |
0.576 |
|
2014 |
Ballante F, Caroli A, Wickersham RB, Ragno R. Hsp90 inhibitors, part 1: definition of 3-D QSAutogrid/R models as a tool for virtual screening. Journal of Chemical Information and Modeling. 54: 956-69. PMID 24564321 DOI: 10.1021/Ci400759T |
0.691 |
|
2014 |
Caroli A, Ballante F, Wickersham RB, Corelli F, Ragno R. Hsp90 inhibitors, part 2: combining ligand-based and structure-based approaches for virtual screening application. Journal of Chemical Information and Modeling. 54: 970-7. PMID 24555544 DOI: 10.1021/Ci400760A |
0.703 |
|
2013 |
Friggeri L, Ballante F, Ragno R, Musmuca I, De Vita D, Manetti F, Biava M, Scipione L, Di Santo R, Costi R, Feroci M, Tortorella S. Pharmacophore assessment through 3-D QSAR: evaluation of the predictive ability on new derivatives by the application on a series of antitubercular agents. Journal of Chemical Information and Modeling. 53: 1463-74. PMID 23617317 DOI: 10.1021/Ci400132Q |
0.685 |
|
2013 |
Perspicace E, Jouan-Hureaux V, Ragno R, Ballante F, Sartini S, La Motta C, Da Settimo F, Chen B, Kirsch G, Schneider S, Faivre B, Hesse S. 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). European Journal of Medicinal Chemistry. 63: 765-81. PMID 23583911 DOI: 10.1016/J.Ejmech.2013.03.022 |
0.651 |
|
2012 |
Ballante F, Musmuca I, Marshall GR, Ragno R. Comprehensive model of wild-type and mutant HIV-1 reverse transciptases. Journal of Computer-Aided Molecular Design. 26: 907-19. PMID 22833004 DOI: 10.1007/S10822-012-9586-6 |
0.704 |
|
2012 |
Silvestri L, Ballante F, Mai A, Marshall GR, Ragno R. Histone deacetylase inhibitors: structure-based modeling and isoform-selectivity prediction. Journal of Chemical Information and Modeling. 52: 2215-35. PMID 22762501 DOI: 10.1021/Ci300160Y |
0.713 |
|
2012 |
Ballante F, Ragno R. 3-D QSAutogrid/R: an alternative procedure to build 3-D QSAR models. Methodologies and applications. Journal of Chemical Information and Modeling. 52: 1674-85. PMID 22643034 DOI: 10.1021/Ci300123X |
0.636 |
|
2012 |
Rotili D, Samuele A, Tarantino D, Ragno R, Musmuca I, Ballante F, Botta G, Morera L, Pierini M, Cirilli R, Nawrozkij MB, Gonzalez E, Clotet B, Artico M, Esté JA, et al. 2-(Alkyl/aryl)amino-6-benzylpyrimidin-4(3H)-ones as inhibitors of wild-type and mutant HIV-1: enantioselectivity studies. Journal of Medicinal Chemistry. 55: 3558-62. PMID 22428851 DOI: 10.1021/Jm201308V |
0.613 |
|
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