Schrödinger MD Workstations & Servers

GPU computing has been widely used to accelerate compute-intensive simulations and push the boundaries of discovery. The multi-core platform of NVIDIA® Data Center 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.

Recent advances in force fields and sampling algorithms, along with free energy calculations, can now yield meaningful comparisons with experimental binding affinities. The confluence of these advances is allowing in silico simulations to contribute to real-life drug discovery efforts by providing better synthesis decisions during lead optimization.