Enhancing DFT-based energy landscape exploration by coupling quantum mechanics and static modes
Unravelling the atomic scale diffusion that can occur at the surface, at the interface or into
the bulk is challenging: multi-scale modelling approaches usually require intensive …
the bulk is challenging: multi-scale modelling approaches usually require intensive …
Toward in silico biomolecular manipulation through static modes: atomic scale characterization of HIV-1 protease flexibility
Probing biomolecular flexibility with atomic-scale resolution is a challenging task in current
computational biology for fundamental understanding and prediction of biomolecular …
computational biology for fundamental understanding and prediction of biomolecular …