Schrödinger Molecular Dynamics FEP+ Workstation Offering Quad Nvidia P40 GPU computing to accelerate compute-intensive simulations and push the boundaries of discovery. The multi-core platform of NVIDIA® Tesla® GPU provides the computational power far outpacing that of the typical CPU. Scientists and developers can access supercomputer scale performance to run later systems, more system or longer simulation timeframes.

FEP+ combines an exceptionally accurate force field (OPLS3e) with improved sampling algorithms that exploit the high performance of GPUs to deliver binding free energies with unprecedented accuracy, providing significant value to structure-enabled drug discovery projects.

GPU-enabled:
Optimization of the FEP+ algorithm to take full advantage of the Desmond GPU MD engine enabling 2 to 4 ligands to be scored per day on a 4 GPU System.

System Highlights:

-2x Dual Intel Xeon Gold 5120 Processors
-256GB DDR4 16x16GB Memory
-Samsung 970 PRO 1TB NVMe PCIe M.2 SSD (OS Drive)
-8TB Western Digital HDD 7200 RPM (Data)
-DVD-RW DRW-24B3ST 24x DVD Reader/Writer
-4x GPU NVIDIA Video Card Tesla P40 24GB GDDR5
-DVD-RW DRW-24B3ST 24x DVD Reader/Writer
-4U Rackmountable High Airflow ATX Tower
-2200W Redundant Power Supplies
-CentOS 7
-Configured GPU computing solutions
-3 Year Warranty