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Andrea Spitaleri
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Glycyrrhizin binds to high-mobility group box 1 protein and inhibits its cytokine activities
L Mollica, F De Marchis, A Spitaleri, C Dallacosta, D Pennacchini, ...
Chemistry & biology 14 (4), 431-441, 2007
6042007
Investigating drug–target association and dissociation mechanisms using metadynamics-based algorithms
A Cavalli, A Spitaleri, G Saladino, FL Gervasio
Accounts of chemical research 48 (2), 277-285, 2015
1472015
The 2021 WHO catalogue of Mycobacterium tuberculosis complex mutations associated with drug resistance: a genotypic analysis
TM Walker, P Miotto, CU Köser, PW Fowler, J Knaggs, Z Iqbal, M Hunt, ...
The Lancet Microbe 3 (4), e265-e273, 2022
1312022
Structural basis for the interaction of isoDGR with the RGD-binding site of αvβ3 integrin
A Spitaleri, S Mari, F Curnis, C Traversari, R Longhi, C Bordignon, A Corti, ...
Journal of Biological Chemistry 283 (28), 19757-19768, 2008
1172008
muma, an R package for metabolomics univariate and multivariate statistical analysis
E Gaude, F Chignola, D Spiliotopoulos, A Spitaleri, M Ghitti, ...
Current Metabolomics 1 (2), 180-189, 2013
1052013
GMXPBSA 2.1: A GROMACS tool to perform MM/PBSA and computational alanine scanning.
C Paissoni, D Spiliotopoulos, G Musco, A Spitaleri
Comput. Phys. Commun. 186 (Supplement C), 105-107, 2015
992015
The solution structure of the first PHD finger of autoimmune regulator in complex with non-modified histone H3 tail reveals the antagonistic role of H3R2 methylation
F Chignola, M Gaetani, A Rebane, T Org, L Mollica, C Zucchelli, ...
Nucleic acids research 37 (9), 2951-2961, 2009
982009
Exploring PHD fingers and H3K4me0 interactions with molecular dynamics simulations and binding free energy calculations: AIRE-PHD1, a comparative study
D Spiliotopoulos, A Spitaleri, G Musco
Public Library of Science 7 (10), e46902, 2012
972012
A 1H NMR study of crystal nucleation in solution
A Spitaleri, CA Hunter, JF McCabe, MJ Packer, SL Cockroft
CrystEngComm 6 (80), 489-493, 2004
932004
Solvent effects of the structures of prenucleation aggregates of carbamazepine
CA Hunter, JF McCabe, A Spitaleri
CrystEngComm 14 (21), 7115-7117, 2012
732012
Application of machine learning techniques to tuberculosis drug resistance analysis
DAC Samaneh Kouchaki, Yang Yang, Timothy M Walker, A Sarah Walker, Daniel J ...
Bioinformatics, 2018
72*2018
Application of targeted next-generation sequencing assay on a portable sequencing platform for culture-free detection of drug-resistant tuberculosis from clinical samples
AM Cabibbe, A Spitaleri, S Battaglia, RE Colman, A Suresh, S Uplekar, ...
Journal of clinical microbiology 58 (10), 10.1128/jcm. 00632-20, 2020
712020
dMM-PBSA: a new HADDOCK scoring function for protein-peptide docking
D Spiliotopoulos, PL Kastritis, ASJ Melquiond, AMJJ Bonvin, G Musco, ...
Frontiers in molecular biosciences 3, 46, 2016
692016
BiKi life sciences: a new suite for molecular dynamics and related methods in drug discovery
S Decherchi, G Bottegoni, A Spitaleri, W Rocchia, A Cavalli
Journal of chemical information and modeling 58 (2), 219-224, 2018
562018
Characterization of genomic variants associated with resistance to bedaquiline and delamanid in naive Mycobacterium tuberculosis clinical strains
S Battaglia, A Spitaleri, AM Cabibbe, CJ Meehan, C Utpatel, N Ismail, ...
Journal of clinical microbiology 58 (11), 10.1128/jcm. 01304-20, 2020
542020
Supported ruthenium nanoparticles on polyorganophosphazenes: preparation, structural and catalytic studies
A Spitaleri, P Pertici, N Scalera, G Vitulli, M Hoang, TW Turney, M Gleria
Inorganica chimica acta 352, 61-71, 2003
512003
A data compendium associating the genomes of 12,289 Mycobacterium tuberculosis isolates with quantitative resistance phenotypes to 13 antibiotics
CRyPTIC Consortium
PLoS biology 20 (8), e3001721, 2022
462022
Role of epistasis in amikacin, kanamycin, bedaquiline, and clofazimine resistance in Mycobacterium tuberculosis complex
R Vargas Jr, L Freschi, A Spitaleri, S Tahseen, I Barilar, S Niemann, ...
Antimicrobial Agents and Chemotherapy 65 (11), 10.1128/aac. 01164-21, 2021
462021
GMXPBSA 2.0: A GROMACS tool to perform MM/PBSA and computational alanine scanning
C Paissoni, D Spiliotopoulos, G Musco, A Spitaleri
Computer Physics Communications 185 (11), 2920-2929, 2014
452014
2D TR‐NOESY Experiments Interrogate and Rank Ligand–Receptor Interactions in Living Human Cancer Cells
S Mari, C Invernizzi, A Spitaleri, L Alberici, M Ghitti, C Bordignon, ...
Angewandte Chemie International Edition 49 (6), 1071-1074, 2010
442010
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Articles 1–20