Molecular dynamics simulations based on empirical force fields are commonly used in studies of large and complex biological systems. A new set of force field parameters complementing the CHARMM27 all atom empirical force field for nucleic acid was developed for 2-aminopurine and purine, two nucleobase analogues extensively used to probe the nucleic acids structure and dynamics.
Jul 30, 2014
May 23, 2014
|Parametrization of 2-Aminopurine and Purine in Charmm All-Atom Empirical Force Field||Jul 30, 2014|