Jun 27, 2011
Fast Calculation of Electrostatic Potentials on the GPU or the ASIC MD-GRAPE-3
Electrostatic potentials (ESPs) are frequently used in structural biology for the characterization of biomolecules. Here we study the potential employment of hardware accelerators like the graphics processing unit or the application-specific integrated circuit MD-GRAPE-3 for the purpose of efficient computation of ESPs.