论文信息 - Parallel computation of solvent accessible surface area of protein molecules

Parallel computation of solvent accessible surface area of protein molecules

The paper presents a parallel algorithm for computation of solvent accessible surface area of a molecule according to the Lee and Richards's (1971) algorithm. The efficient parallelization of this process is crucial in dynamic simulations of protein molecules and protein folding studies. The solvent accessible surface area (ASA) problem exhibits inherent parallelism that is exploited in the design of a parallel program which is implemented on an Intel iPSC machine. The performance of the parallel algorithm is enhanced by a dynamic load balancing scheme. The authors report on experiments performed on a set of protein structures.<<ETX>>

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