Ontology highlight
ABSTRACT:
SUBMITTER: Chillemi G
PROVIDER: S-EPMC1888835 | biostudies-literature | 2007
REPOSITORIES: biostudies-literature
Chillemi Giovanni G Bruselles Alessandro A Fiorani Paola P Bueno Susana S Desideri Alessandro A
Nucleic acids research 20070416 9
The open state of human topoisomerase I has been probed by molecular dynamics simulation, starting from the coordinates of the closed structure of the protein complexed with DNA, after elimination of the 22-bp DNA duplex oligonucleotide. A repulsion force between the two lips of the protein has been introduced for a short time to induce destabilization of the local minimum, after which an unperturbed simulation has been carried out for 10 ns. The simulation shows that the protein undergoes a lar ...[more]