|Allosteric modulators of HSP90 and HSP70: dynamics meets function through structure-based drug design|
M Ferraro, I D’Annessa, E Moroni, G Morra, A Paladino, S Rinaldi, ...
Journal of medicinal chemistry 62 (1), 60-87, 2018
|Thr729 in human topoisomerase I modulates anti-cancer drug resistance by altering protein domain communications as suggested by molecular dynamics simulations|
G Chillemi, I D’Annessa, P Fiorani, C Losasso, P Benedetti, A Desideri
Nucleic Acids Research 36 (17), 5645-5651, 2008
|Interaction between natural compounds and human topoisomerase I|
S Castelli, A Coletta, I D’Annessa, P Fiorani, C Tesauro, A Desideri
Biological chemistry 393 (11), 1327-1340, 2012
|Erybraedin C, a natural compound from the plant Bituminaria bituminosa, inhibits both the cleavage and religation activities of human topoisomerase I|
C Tesauro, P Fiorani, I d'Annessa, G Chillemi, G Turchi, A Desideri
Biochemical Journal 425 (3), 531-539, 2010
|Structural and dynamical effects induced by the anticancer drug topotecan on the human topoisomerase I–DNA complex|
G Mancini, I D'Annessa, A Coletta, N Sanna, G Chillemi, A Desideri
PloS one 5 (6), e10934, 2010
|Molecular mechanism of the camptothecin resistance of Glu710Gly topoisomerase IB mutant analyzed in vitro and in silico|
C Tesauro, B Morozzo della Rocca, A Ottaviani, A Coletta, L Zuccaro, ...
Molecular cancer 12, 1-13, 2013
|Evidence of the crucial role of the linker domain on the catalytic activity of human topoisomerase I by experimental and simulative characterization of the Lys681Ala mutant|
P Fiorani, C Tesauro, G Mancini, G Chillemi, I D'A; nnessa, G Graziani, ...
Nucleic acids research 37 (20), 6849-6858, 2009
|Design of allosteric stimulators of the Hsp90 ATPase as new anticancer leads|
I D'Annessa, S Sattin, J Tao, M Pennati, C Sŕnchez‐Martěn, E Moroni, ...
Chemistry–A European Journal 23 (22), 5188-5192, 2017
|Structural dynamics of the mitochondrial ADP/ATP carrier revealed by molecular dynamics simulation studies|
M Falconi, G Chillemi, D Di Marino, I D'Annessa, B Morozzo della Rocca, ...
Proteins: Structure, Function, and Bioinformatics 65 (3), 681-691, 2006
|Computational analysis of dengue virus envelope protein (E) reveals an epitope with flavivirus immunodiagnostic potential in peptide microarrays|
G Bergamaschi, EMA Fassi, A Romanato, I D’Annessa, MT Odinolfi, ...
International journal of molecular sciences 20 (8), 1921, 2019
|Ligand binding, unbinding, and allosteric effects: deciphering small-molecule modulation of HSP90|
I D’Annessa, S Raniolo, V Limongelli, D Di Marino, G Colombo
Journal of chemical theory and computation 15 (11), 6368-6381, 2019
|Structural-dynamical properties of the Deinococcus radiodurans topoisomerase IB in absence of DNA: correlation with the human enzyme.|
D Ilda, C Giovanni, D Alessandro
Journal of biomolecular structure & dynamics 27 (3), 307, 2009
|Bioinformatics and biosimulations as toolbox for peptides and peptidomimetics design: where are we?|
I D’Annessa, FS Di Leva, A La Teana, E Novellino, V Limongelli, ...
Frontiers in Molecular Biosciences 7, 66, 2020
|Simulations of DNA topoisomerase 1B bound to supercoiled DNA reveal changes in the flexibility pattern of the enzyme and a secondary protein–DNA binding site|
I D'Annessa, A Coletta, T Sutthibutpong, J Mitchell, G Chillemi, S Harris, ...
Nucleic acids research 42 (14), 9304-9312, 2014
|A single mutation in the 729 residue modulates human DNA topoisomerase IB DNA binding and drug resistance|
C Losasso, E Cretaio, P Fiorani, I D’Annessa, G Chillemi, P Benedetti
Nucleic acids research 36 (17), 5635-5644, 2008
|Enhancing antibody serodiagnosis using a controlled peptide coimmobilization strategy|
L Sola, P Gagni, I D’Annessa, R Capelli, C Bertino, A Romanato, F Damin, ...
ACS Infectious Diseases 4 (6), 998-1006, 2018
|A unique binding mode of the eukaryotic translation initiation factor 4E for guiding the design of novel peptide inhibitors|
D Di Marino, I D'Annessa, H Tancredi, C Bagni, E Gallicchio
Protein Science 24 (9), 1370-1382, 2015
|Handling FMRP and its molecular partners: Structural insights into Fragile X Syndrome|
I D'Annessa, F Cicconardi, D Di Marino
Progress in biophysics and molecular biology 141, 3-14, 2019
|Population dynamics and structural effects at short and long range support the hypothesis of the selective advantage of the G614 SARS-CoV-2 spike variant|
E Trucchi, P Gratton, F Mafessoni, S Motta, F Cicconardi, F Mancia, ...
Molecular biology and evolution 38 (5), 1966-1979, 2021
|A derivative of the natural compound kakuol affects DNA relaxation of topoisomerase IB inhibiting the cleavage reaction|
S Castelli, S Vieira, I D’Annessa, P Katkar, L Musso, S Dallavalle, ...
Archives of biochemistry and biophysics 530 (1), 7-12, 2013