Kawata M. – TechConnect Briefs

Molecular Simulation of DNA Microarrays – an Application of 2D particle mesh Ewald algorithm

Watanabe T., Kawata M., Nagashima U., National Institute of Advanced Industrial and Science and Technology, JP

We have developed the two-dimensional particle mesh Ewald (2D-PME) algorithm for molecular dynamics (MD) simulation, and applied it to have knowledge of the behavior of DNA and its interaction on microarrays, which crucial in the [...]

Fast, Accurate Molecular Dynamics Simulations for Surfaces and Membranes

Kawata M., Nagashima U., National Institute of Advanced Industrial Science and Technology, JP

We have developed new fast method for calculating the accurate Coulomb interactions for quasi-2D systems and implemented in the MD calculations. We present the details of the computational steps to implement the 2D-PME method, focusing [...]