Accelerating Prediction of Chemical Shift of Protein Structures on GPUs
E. Wright, M. Ferrato, A. Bryer, R. Searles, J. R. Perilla, S. Chandrasekaran
The paper accelerates chemical shift prediction for large protein complexes using GPU acceleration, reducing computation time from 14 hours to 46.71 seconds.
bioRxiv · Jan 12, 2020 · PreprintBiophysics