Molecular dynamics study of DNA oligomers under angled pulling

AM Naserian-Nik, M Tahani, M Karttunen - Rsc Advances, 2014 - pubs.rsc.org
Extensive 13-microsecond steered molecular dynamics simulations (SMD) were performed
to study the mechanical properties of short double-stranded DNA under tensile loads at the …

Toward in silico biomolecular manipulation through static modes: atomic scale characterization of HIV-1 protease flexibility

M Brut, A Estève, G Landa… - The Journal of Physical …, 2014 - ACS Publications
Probing biomolecular flexibility with atomic-scale resolution is a challenging task in current
computational biology for fundamental understanding and prediction of biomolecular …