Publications
26.
Assessment of the performance of the Ames MPF™ assay: A multicenter collaborative study with six coded chemicals
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25.
Identification of a BAZ2A-bromodomain hit compound by fragment growing
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24.
Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers
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23.
Assessment of the miniaturized liquid Ames Microplate Format (MPF) for a selection of the test items from the recommended list of genotoxic and non-genotoxic chemicals
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22.
Understanding the mechanism of action of pyrrolo[3,2-b]quinoxaline-derivatives as kinase inhibitors
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21.
Ligand Retargeting by Binding Site Analogy
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20.
Structural Analysis of Small Molecule Binding to the BAZ2A and
BAZ2B Bromodomains
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19.
Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple)
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17.
Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain
16.
dMM-PBSA:ANewHADDOCKScoringFunctionforProtein-PeptideDocking
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15.
Fragment-based in silico screening of bromodomain ligands
14.
Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome
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13.
Fragment-based design of selective nanomolar ligands of the CREBBP bromodomain
12.
Discovery of CREBBP bromodomain inhibitors by high-throughput docking and hit optimization guided by Molecular Dynamics
11.
GMXPBSA 2.1: A GROMACS tool to perform MM/PBSA and computational alanine scanning
10.
Structural analysis of the binding of type I, I1/2, and II inhibitors to Eph tyrosine kinases
9.
Molecular Dynamics simulations of bromodomains reveal binding‐site flexibility and multiple binding modes of the natural ligand acetyl‐lysine
8.
Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking
7.
GMXPBSA 2.0: A GROMACS tool to perform MM/PBSA and computational alanine scanning
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6.
Identification of a novel de novo deletion in RAF1 associated with biventricular hypertrophy in Noonan syndrome
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5.
muma, an R package for metabolomics univariate and multivariate statistical analysis
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4.
Exploring PHD fingers and H3K4me0 interactions with Molecular Dynamics simulations and binding free energy calculations: AIRE-PHD1, a case study
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3.
AIRE-PHD fingers are structural hubs to maintain the integrity of chromatin-associated interactome
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2.
A DNA-transposon-based approach to functional screening in Neural Stem cells
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1.
An optimized experimental strategy for efficient conversion of embryonic stem (ES)-derived mouse neural stem (NS) cells into a nearly homogeneous mature neuronal population
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Presentations
VS2NMR
Password: MaggieThatch3rIsASt0neColdF0x
ProteinNMR
Password: MaggieThatch3rIsASt0neColdF0x
Title
Password: MaggieThatch3rIsASt0neColdF0x
Documents
PhD Diplomas
Università Vita–Salute San Raffaele
Open University
Other papers
2.
Similarity of multiple dose-response curves in interlaboratory studies in regulatory toxicology