Cleavage of phosphodiester bond: a theoretical-computational approach
Anno
2017
Proponente Marco D'Abramo - Professore Associato
Struttura
Sottosettore ERC del proponente del progetto
Componenti gruppo di ricerca
| Componente | Qualifica | Struttura | Categoria |
|---|---|---|---|
| Grottesi Alessandro | HPC Specialist | CINECA, Supercomputing Applications and Innovation Unit | Altro personale Sapienza o esterni |
| Rafael Molina | Associate Researcher | Department of Crystallography & Structural Biology Institute of Physical Chemistry Rocasolano Spanish National Research Council (CSIC) | Altro personale Sapienza o esterni |
Abstract
In this project, we propose to characterize by theoretical/computational approaches the reaction of the DNA cleavage as occurring in homing endonucleases.
By combining molecular dynamics simulations with quantum mechanical calculations in a statistical mechanical coherent approaches we plan to fully characterize the factors regulating such a reaction and describe them at atomic level of details.
Therefore, the main objective of the project are:
- To achieve mechanistic insights on the process of double-strand break as occurring in homing endonucleases
- To provide a robust framework based on the combination of theoretical techniques able to help the customized
recognition DNA sequence specificity.
ERC
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