List of works - Andrea Coletta

A small organic compound enhances the religation reaction of human topoisomerase I and identifies crucial elements for the religation mechanism.

scientific article published on 7 March 2013

Advantages of an optical nanosensor system for the mechanistic analysis of a novel topoisomerase I targeting drug: a case study

scientific article

Allosteric-Activation Mechanism of Bovine Chymosin Revealed by Bias-Exchange Metadynamics and Molecular Dynamics Simulations.

scientific article

Assignment of UV-vis spectrum of (3,3')-diindolylmethane, a Leishmania donovani topoisomerase IB inhibitor and a candidate DNA minor groove binder.

scientific article published in July 2010

Binding of an Indenoisoquinoline to the topoisomerase-DNA complex induces reduction of linker mobility and strengthening of protein-DNA interaction

scientific article

Characterization of the differences in the cyclopiazonic acid binding mode to mammalian and P. Falciparum Ca2+ pumps: a computational study

scientific article (publication date: March 2015)

Effect of oxindolimine copper(II) and zinc(II) complexes on human topoisomerase I activity.

scientific article published on January 2014

Geometrical constraints limiting the poly(ADP-ribose) conformation investigated by molecular dynamics simulation.

scientific article published in January 2014

Interaction between natural compounds and human topoisomerase I.

scientific article

Isoniazid inhibits the heme-based reactivity of Mycobacterium tuberculosis truncated hemoglobin N ⬇️

scientific article

Molecular Modeling Investigation of the Interaction between Humicola insolens Cutinase and SDS Surfactant Suggests a Mechanism for Enzyme Inactivation

scientific article published on 19 March 2019

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

scientific article published on 03 September 2013

Mutants and molecular dockings reveal that the primary L-thyroxine binding site in human serum albumin is not the one which can cause familial dysalbuminemic hyperthyroxinemia.

scientific article

On-slide detection of enzymatic activities in selected single cells.

scientific article published on 5 September 2017

Protonation of aqueous alanine by photoionization of water

scientific article

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

scientific article published on 3 September 2013

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

scientific article

Solvent dependency of the UV-Vis spectrum of indenoisoquinolines: role of keto-oxygens as polarity interaction probes

scientific article (publication date: 2013)

Solvent effects on the valence UV-vis absorption spectra of topotecan anticancer drug in aqueous solution at room temperature: a nanoseconds time-scale TD-DFT/MD computational study

scientific article published in May 2010

Structural and dynamical effects induced by the anticancer drug topotecan on the human topoisomerase I - DNA complex

scientific article

List of works by Andrea Coletta

A small organic compound enhances the religation reaction of human topoisomerase I and identifies crucial elements for the religation mechanism.

Advantages of an optical nanosensor system for the mechanistic analysis of a novel topoisomerase I targeting drug: a case study

Allosteric-Activation Mechanism of Bovine Chymosin Revealed by Bias-Exchange Metadynamics and Molecular Dynamics Simulations.

Assignment of UV-vis spectrum of (3,3')-diindolylmethane, a Leishmania donovani topoisomerase IB inhibitor and a candidate DNA minor groove binder.

Binding of an Indenoisoquinoline to the topoisomerase-DNA complex induces reduction of linker mobility and strengthening of protein-DNA interaction

Characterization of the differences in the cyclopiazonic acid binding mode to mammalian and P. Falciparum Ca2+ pumps: a computational study

Effect of oxindolimine copper(II) and zinc(II) complexes on human topoisomerase I activity.

Geometrical constraints limiting the poly(ADP-ribose) conformation investigated by molecular dynamics simulation.

Interaction between natural compounds and human topoisomerase I.

Isoniazid inhibits the heme-based reactivity of Mycobacterium tuberculosis truncated hemoglobin N ⬇️

Molecular Modeling Investigation of the Interaction between Humicola insolens Cutinase and SDS Surfactant Suggests a Mechanism for Enzyme Inactivation

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

Mutants and molecular dockings reveal that the primary L-thyroxine binding site in human serum albumin is not the one which can cause familial dysalbuminemic hyperthyroxinemia.

On-slide detection of enzymatic activities in selected single cells.

Protonation of aqueous alanine by photoionization of water

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

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

Solvent dependency of the UV-Vis spectrum of indenoisoquinolines: role of keto-oxygens as polarity interaction probes

Solvent effects on the valence UV-vis absorption spectra of topotecan anticancer drug in aqueous solution at room temperature: a nanoseconds time-scale TD-DFT/MD computational study

Structural and dynamical effects induced by the anticancer drug topotecan on the human topoisomerase I - DNA complex