Last most-relevant publications
- Mechanism of reaction of RNA-dependent RNA polymerase from SARS-CoV-2 Chem Catalysis
- Probing allosteric regulations with coevolution-driven molecular simulations Science advances
- Impact of DNA methylation on 3D genome structure Nature Communications
- 4D Genome Rewiring during Oncogene-Induced and Replicative Senescence Molecular Cell
Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations
Multiscale simulation of DNA
DNA is not only among the most important molecules in life, but a meeting point for biology, physics and chemistry, being studied by numerous techniques. Theoretical methods can help in gaining a detailed understanding of DNA structure and function, but their practical use is hampered by the multiscale nature of this molecule.