Results about: molecular dynamics

A high resolution description of the structure and dynamics of proteins is a very useful tool to study the properties and the function of these important biomacromolecules and, most importantly, to understand how changes in sequence or environment can lead to disease.

IRB Barcelona develops an advanced method and the first platform of DNA simulations

The simulation method developed in Modesto Orozco’s laboratory allows the study—with unprecedented accuracy—of structural changes in DNA and of the interaction of DNA with proteins and drugs.

All the simulations and posterior analyses are kept in the first online tool developed to date dedicated to atomic level simulations of nucleic acids.

The platform is free of charge and available to the entire scientific community through the Spanish Institute of Bioinformatics and the European network ELIXIR-Excellerate.

In addition to other uses, the new method provides greater insight into how DNA is recognised by proteins that modify its function or by the drugs that bind to it to exert their therapeutic action, thereby furthering our understanding of the biological function of DNA.