We present here the parmbsc0 force field, a refinement of the AMBER parm99 force field,
where emphasis has been made on the correct representation of the α/γ concerted rotation …

Advances in molecular dynamics (MD) software alongside enhanced computational power
and hardware have allowed for MD simulations to significantly expand our knowledge of …

Refinement of empirical force fields for nucleic acids requires their extensive testing using as
wide range of systems as possible. However, finding unambiguous reference data is not …

The utility of molecular dynamics (MD) simulations to model biomolecular structure,
dynamics, and interactions has witnessed enormous advances in recent years due to the …

Despite DNA being a very important target for several proteins and drugs, molecular
dynamics simulations with nucleic acids still encompass many challenges, such as the …

We present a systematic study of B-DNA flexibility in aqueous solution using long-scale
molecular dynamics simulations with the two more recent versions of nucleic acids force …

We report a reparameterization of the glycosidic torsion χ of the Cornell et al. AMBER force
field for RNA, χOL. The parameters remove destabilization of the anti region found in the ff99 …

Last generation of force-fields are raising expectations on the quality of molecular dynamics
(MD) simulations of DNA, as well as to the belief that theoretical models can substitute …

Molecular dynamics simulations based on empirical force fields can greatly enhance
knowledge of DNA and RNA structure and dynamics in solution. Presented are results on …

Molecular dynamic (MD) simulations using the BMS nucleic acid force field produce
environment and sequence dependent DNA conformations that closely mimic …