Ambrosio FA - Search Results

1

D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU.

Santos-Martins D, Eberhardt J, Bianco G, Solis-Vasquez L, Ambrosio FA, Koch A, Forli S. Santos-Martins D, et al. Among authors: ambrosio fa. J Comput Aided Mol Des. 2019 Dec;33(12):1071-1081. doi: 10.1007/s10822-019-00241-9. Epub 2019 Nov 6. J Comput Aided Mol Des. 2019. PMID: 31691920 Free PMC article.

2

AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions.

Arcon JP, Modenutti CP, Avendaño D, Lopez ED, Defelipe LA, Ambrosio FA, Turjanski AG, Forli S, Marti MA. Arcon JP, et al. Among authors: ambrosio fa. Bioinformatics. 2019 Oct 1;35(19):3836-3838. doi: 10.1093/bioinformatics/btz152. Bioinformatics. 2019. PMID: 30825370 Free PMC article.

3

Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4.

El Khoury L, Santos-Martins D, Sasmal S, Eberhardt J, Bianco G, Ambrosio FA, Solis-Vasquez L, Koch A, Forli S, Mobley DL. El Khoury L, et al. Among authors: ambrosio fa. J Comput Aided Mol Des. 2019 Dec;33(12):1011-1020. doi: 10.1007/s10822-019-00240-w. Epub 2019 Nov 6. J Comput Aided Mol Des. 2019. PMID: 31691919 Free PMC article.

4

New resistance mutations to nucleoside reverse transcriptase inhibitors at codon 184 of HIV-1 reverse transcriptase (M184L and M184T).

Pouga L, Santoro MM, Charpentier C, Di Carlo D, Romeo I, Artese A, Alcaro S, Antinori A, Wirden M, Perno CF, Ambrosio FA, Calvez V, Descamps D, Marcelin AG, Ceccherini-Silberstein F, Lambert-Niclot S. Pouga L, et al. Among authors: ambrosio fa. Chem Biol Drug Des. 2019 Jan;93(1):50-59. doi: 10.1111/cbdd.13378. Epub 2018 Nov 27. Chem Biol Drug Des. 2019. PMID: 30103267

5

Novel natural non-nucleoside inhibitors of HIV-1 reverse transcriptase identified by shape- and structure-based virtual screening techniques.

Costa G, Rocca R, Corona A, Grandi N, Moraca F, Romeo I, Talarico C, Gagliardi MG, Ambrosio FA, Ortuso F, Alcaro S, Distinto S, Maccioni E, Tramontano E, Artese A. Costa G, et al. Among authors: ambrosio fa. Eur J Med Chem. 2019 Jan 1;161:1-10. doi: 10.1016/j.ejmech.2018.10.029. Epub 2018 Oct 13. Eur J Med Chem. 2019. PMID: 30342421

6

A computer-assisted discovery of novel potential anti-obesity compounds as selective carbonic anhydrase VA inhibitors.

Costa G, Carta F, Ambrosio FA, Artese A, Ortuso F, Moraca F, Rocca R, Romeo I, Lupia A, Maruca A, Bagetta D, Catalano R, Vullo D, Alcaro S, Supuran CT. Costa G, et al. Among authors: ambrosio fa. Eur J Med Chem. 2019 Nov 1;181:111565. doi: 10.1016/j.ejmech.2019.111565. Epub 2019 Jul 27. Eur J Med Chem. 2019. PMID: 31387062

7

From Nature to Synthetic Compounds: Novel 1(N),2,3 Trisubstituted-5-oxopyrrolidines Targeting Multiple Myeloma Cells.

Listro R, Malacrida A, Ambrosio FA, Rossino G, Di Giacomo M, Cavalloro V, Garbagnoli M, Linciano P, Rossi D, Cavaletti G, Costa G, Alcaro S, Miloso M, Collina S. Listro R, et al. Among authors: ambrosio fa. Int J Mol Sci. 2022 Oct 27;23(21):13061. doi: 10.3390/ijms232113061. Int J Mol Sci. 2022. PMID: 36361848 Free PMC article.

8

Exploration of ligand binding modes towards the identification of compounds targeting HuR: a combined STD-NMR and Molecular Modelling approach.

Vasile F, Della Volpe S, Ambrosio FA, Costa G, Unver MY, Zucal C, Rossi D, Martino E, Provenzani A, Hirsch AKH, Alcaro S, Potenza D, Collina S. Vasile F, et al. Among authors: ambrosio fa. Sci Rep. 2018 Sep 13;8(1):13780. doi: 10.1038/s41598-018-32084-z. Sci Rep. 2018. PMID: 30214075 Free PMC article.

9

Pathway involving the N155H mutation in HIV-1 integrase leads to dolutegravir resistance.

Malet I, Ambrosio FA, Subra F, Herrmann B, Leh H, Bouger MC, Artese A, Katlama C, Talarico C, Romeo I, Alcaro S, Costa G, Deprez E, Calvez V, Marcelin AG, Delelis O. Malet I, et al. Among authors: ambrosio fa. J Antimicrob Chemother. 2018 May 1;73(5):1158-1166. doi: 10.1093/jac/dkx529. J Antimicrob Chemother. 2018. PMID: 29373677

10

The Mediterranean Diet as source of bioactive compounds with multi-targeting anti-cancer profile.

Maruca A, Catalano R, Bagetta D, Mesiti F, Ambrosio FA, Romeo I, Moraca F, Rocca R, Ortuso F, Artese A, Costa G, Alcaro S, Lupia A. Maruca A, et al. Among authors: ambrosio fa. Eur J Med Chem. 2019 Nov 1;181:111579. doi: 10.1016/j.ejmech.2019.111579. Epub 2019 Jul 31. Eur J Med Chem. 2019. PMID: 31398616 Review.

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