Structural Biology

About Us

Our research is focused on the structure-dynamics-function correlation of globular and membrane proteins.

Below you find some featured articles. To access a searchable database of our publications please use the Biblio link on the left or the Publication tab above.

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Influence of the single-strand linker composition on the structural/dynamical properties of a truncated octahedral DNA nano-cage family

Submitted by Administrator on July 29, 2014 - 15:40

Iacovelli, F.; Alves, C.; Falconi, M.; Oteri, F.; de Oliveira, C. L. P.; Desideri, A. Influence of the single-strand linker composition on the structural/dynamical properties of a truncated octahedral DNA nano-cage family. Biopolymers 2014, 101, 992–999.

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.

Submitted by Administrator on July 29, 2014 - 15:25

D'Annessa, I.; Coletta, A.; Sutthibutpong, T.; Mitchell, J.; Chillemi, G.; Harris, S.; Desideri, A. 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. Nucleic Acids Res 2014, 42, 9304-12.

Temperature-Controlled Encapsulation and Release of an Active Enzyme in the Cavity of a Self-Assembled DNA Nanocage.

Submitted by Administrator on November 6, 2013 - 10:55

Juul, S.; Iacovelli, F.; Falconi, M.; Kragh, S. L.; Christensen, B.; Frøhlich, R.; Franch, O.; Kristoffersen, E. L.; Stougaard, M.; Leong, K. W.; Ho, Y. - P.; Sørensen, E. S.; Birkedal, V.; Desideri, A.; Knudsen, B. R. Temperature-Controlled Encapsulation and Release of an Active Enzyme in the Cavity of a Self-Assembled DNA Nanocage. ACS Nano 2013.

Molecular mechanism of the camptothecin resistance of Glu710Gly topoisomerase IB mutant analyzed in vitro and in silico.

Submitted by Administrator on October 4, 2013 - 12:32

Tesauro, C.; Morozzo della Rocca, B.; Ottaviani, A.; Coletta, A.; Zuccaro, L.; Arnò, B.; D'Annessa, I.; Fiorani, P.; Desideri, A. Molecular mechanism of the camptothecin resistance of Glu710Gly topoisomerase IB mutant analyzed in vitro and in silico. Mol Cancer 2013, 12, 100.

Role of the protein in the DNA sequence specificity of the cleavage site stabilized by the camptothecin topoisomerase IB inhibitor: a metadynamics study.

Submitted by Administrator on September 5, 2013 - 18:02

Coletta, A.; Desideri, A. Role of the protein in the DNA sequence specificity of the cleavage site stabilized by the camptothecin topoisomerase IB inhibitor: a metadynamics study. Nucleic Acids Res 2013.

Binding of an Indenoisoquinoline to the Topoisomerase-DNA Complex Induces Reduction of Linker Mobility and Strengthening of Protein-DNA Interaction.

Submitted by Administrator on April 2, 2013 - 09:26

Mancini, G.; D'Annessa, I.; Coletta, A.; Chillemi, G.; Pommier, Y.; Cushman, M.; Desideri, A. Binding of an Indenoisoquinoline to the Topoisomerase-DNA Complex Induces Reduction of Linker Mobility and Strengthening of Protein-DNA Interaction. PLoS One 2012, 7, e51354.

Structural dynamics of V3 loop with different electrostatics: implications on co-receptor recognition: a molecular dynamics study of HIV gp120.

Submitted by Administrator on October 10, 2012 - 10:45

Chandramouli, B.; Chillemi, G.; Giombini, E.; Capobianchi, M. R.; Rozera, G.; Desideri, A. Structural dynamics of V3 loop with different electrostatics: implications on co-receptor recognition: a molecular dynamics study of HIV gp120. J Biomol Struct Dyn 2012.

ATP independent type IB topoisomerase of Leishmania donovani is stimulated by ATP: an insight into the functional mechanism.

Submitted by Administrator on February 14, 2012 - 17:00

Sengupta, S.; Ganguly, A.; Roy, A.; Bosedasgupta, S.; D'Annessa, I.; Desideri, A.; Majumder, H. K. ATP independent type IB topoisomerase of Leishmania donovani is stimulated by ATP: an insight into the functional mechanism. Nucleic acids research 2011, 39, 3295-309.

Role of Flexibility in Protein-DNA-Drug Recognition: The Case of Asp677Gly-Val703Ile Topoisomerase Mutant Hypersensitive to Camptothecin.

Submitted by Administrator on February 13, 2012 - 00:04

D'Annessa, I.; Tesauro, C.; Fiorani, P.; Chillemi, G.; Castelli, S.; Vassallo, O.; Capranico, G.; Desideri, A. Role of Flexibility in Protein-DNA-Drug Recognition: The Case of Asp677Gly-Val703Ile Topoisomerase Mutant Hypersensitive to Camptothecin. Journal of amino acids 2012, 2012, 206083.