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

The improvements of the force fields and the more accurate treatment of long-range
interactions are providing more reliable molecular dynamics simulations of nucleic acids …

We have recently indicated preliminary evidence of different equilibrium average structures
with the CHARMM and AMBER force fields in explicit solvent molecular dynamics …

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 …

We have investigated to what extent molecular dynamics (MD) simulations can reproduce
DNA sequence-specific features, given different electrostatic descriptions and different cell …

Flexible nucleic acid structures can be challenging to accurately resolve with currently
available experimental structural determination techniques. As an alternative, molecular …

Molecular dynamics simulations of the DNA duplex d (CCCCCTTTTT) 2 in ionic solution with
AMBER and CHARMM force fields are compared. CHARMM parameters result in an A-DNA …

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 …

In the last five years we have witnessed a significant increase in the number publications
describing accurate and reliable all‐atom molecular dynamics simulations of nucleic acids …

Molecular dynamics (MD) simulations of the DNA dodecamer d (CGCGAATTCGCG) 2, with
the bulk solvent represented implicitly but the minor groove filled with explicit water …