Ballante F - Search Results

1

Docking Finds GPCR Ligands in Dark Chemical Matter.

Ballante F, Rudling A, Zeifman A, Luttens A, Vo DD, Irwin JJ, Kihlberg J, Brea J, Loza MI, Carlsson J. Ballante F, et al. J Med Chem. 2020 Jan 23;63(2):613-620. doi: 10.1021/acs.jmedchem.9b01560. Epub 2020 Jan 13. J Med Chem. 2020. PMID: 31846328

2

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

Kapla J, Rodríguez-Espigares I, Ballante F, Selent J, Carlsson J. Kapla J, et al. Among authors: ballante f. PLoS Comput Biol. 2021 May 13;17(5):e1008936. doi: 10.1371/journal.pcbi.1008936. eCollection 2021 May. PLoS Comput Biol. 2021. PMID: 33983933 Free PMC article.

3

Structure-Based Virtual Screening for Ligands of G Protein-Coupled Receptors: What Can Molecular Docking Do for You?

Ballante F, Kooistra AJ, Kampen S, de Graaf C, Carlsson J. Ballante F, et al. Pharmacol Rev. 2021 Oct;73(4):527-565. doi: 10.1124/pharmrev.120.000246. Pharmacol Rev. 2021. PMID: 34907092 Review.

4

Structural Characterization of Agonist Binding to Protease-Activated Receptor 2 through Mutagenesis and Computational Modeling.

Kennedy AJ, Ballante F, Johansson JR, Milligan G, Sundström L, Nordqvist A, Carlsson J. Kennedy AJ, et al. Among authors: ballante f. ACS Pharmacol Transl Sci. 2018 Oct 16;1(2):119-133. doi: 10.1021/acsptsci.8b00019. eCollection 2018 Nov 9. ACS Pharmacol Transl Sci. 2018. PMID: 32219208 Free PMC article.

5

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

Reddy DR, Ballante F, Zhou NJ, Marshall GR. Reddy DR, et al. Among authors: ballante f. Eur J Med Chem. 2017 Feb 15;127:531-553. doi: 10.1016/j.ejmech.2016.12.032. Epub 2016 Dec 18. Eur J Med Chem. 2017. PMID: 28109947

6

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

Ballante F, Reddy DR, Zhou NJ, Marshall GR. Ballante F, et al. Bioorg Med Chem. 2017 Apr 1;25(7):2105-2132. doi: 10.1016/j.bmc.2017.02.020. Epub 2017 Feb 13. Bioorg Med Chem. 2017. PMID: 28259528

7

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

Ballante F. Ballante F. Methods Mol Biol. 2018;1824:67-88. doi: 10.1007/978-1-4939-8630-9_5. Methods Mol Biol. 2018. PMID: 30039402

8

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

Reddy DN, Ballante F, Chuang T, Pirolli A, Marrocco B, Marshall GR. Reddy DN, et al. Among authors: ballante f. J Med Chem. 2016 Feb 25;59(4):1613-33. doi: 10.1021/acs.jmedchem.5b01632. Epub 2016 Jan 7. J Med Chem. 2016. PMID: 26681404

9

Identification of histone deacetylase inhibitors with (arylidene)aminoxy scaffold active in uveal melanoma cell lines.

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. Nencetti S, et al. Among authors: ballante f. J Enzyme Inhib Med Chem. 2021 Dec;36(1):34-47. doi: 10.1080/14756366.2020.1835883. J Enzyme Inhib Med Chem. 2021. PMID: 33100043 Free PMC article.

10

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

Ballante F, Marshall GR. Ballante F, et al. J Chem Inf Model. 2016 Jan 25;56(1):54-72. doi: 10.1021/acs.jcim.5b00603. Epub 2016 Jan 6. J Chem Inf Model. 2016. PMID: 26682916

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