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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
6052007
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
1372022
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
1002015
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
922004
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
75*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
732020
Solvent effects of the structures of prenucleation aggregates of carbamazepine
CA Hunter, JF McCabe, A Spitaleri
CrystEngComm 14 (21), 7115-7117, 2012
732012
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
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
502021
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
482022
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