Seren Soner

TL;DR: A number of designed protein-protein interfaces with very favorable computed binding energies but which do not appear to be formed in experiments are generated, suggesting that there may be important physical chemistry missing in the energy calculations.

TL;DR: DNABINDPROT is designed to predict DNA-binding residues, based on the fluctuations of residues in high-frequency modes by the Gaussian network model, with relatively low sensitivity with the identified residues being selective and susceptible more for the binding core residues rather than all DNA- binding residues.

TL;DR: Using dynamic fluctuations in high frequency modes, the Gaussian Network Model (GNM) predicts hot spot residues with success rates ranging between S 8–58%, C 84–95%, P 5–19% and A 81–92% on unbound structures and S 8-51%, C 97–99%, P 14–50%, A 94–97% on complex structures for sensitivity, specificity, precision and accuracy, respectively.

TL;DR: An integer programming based heterogeneous CPU-GPU cluster scheduler for the widely used SLURM resource manager that produces better resource utilization and shorter average job waiting times is presented.

TL;DR: Two integer programming based heterogeneous CPU-GPU cluster schedulers, called IPSCHED and AUCSCHED, for the widely used SLURM resource manager are presented and tests show that the algorithms perform better in terms of utilization, spread and packing over SLurM's backfill plug-in.