SDA 7: A modular and parallel implementation of the simulation of diffusional association software
Michael Martinez, Neil J. Bruce, Julia Romanowska, Daria B. Kokh, Musa Ozboyaci, Xiaofeng Yu, Mehmet Ali Öztürk, Stefan Richter and Rebecca C. Wade
Article first published online: 29 JUN 2015 | DOI: 10.1002/jcc.23971
SDA 7 is the latest release of the Simulation of Diffusional Association software, a Brownian dynamics simulation package for the modeling of biomolecular systems. This release has been fully rewritten in Fortran 90, using an object-oriented programming approach, with improved parallelization on multi-core shared memory architectures. It consolidates the previously separate versions used for simulations of bimolecular and many-molecule systems, and allows modeling of solute flexibility.