MMS Infrastuctures - MMS

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About us...


Welcome to the Molecular Modeling Section (MMS) of the Department of Pharmaceutical and Pharmacological Sciences, at Padova University in Italy. We are interested in developing new strategies for drug design and discovery by integrating informatics, chemistry, biology, and medicine. Currently, we are using chemical and structural strategies to understand basic mechanisms of human diseases and discover a new generation of drugs. In the spirit of the motto "interdisciplinarity is dialog" the aim of the MMS is to face medicinal chemistry and medical problems in collaboration with experts of the field... not mixing our expertises, but summing them up.

MMS CPU-GPU Cluster is an in-house
computational infrastructure that leverages the synergistic cluster coupling of CPUs, GPUs, displays, and storage. The cluster consists of the following hardware configuration:


  • 4 CPU compute nodes (24 CPU, 280 cores, 780 GB RAM)
  • 5 GPU compute nodes (21 GPU cards, 40k CUDA cores, 85000 GFlops, from NVIDIA GeForce 580 GTX until NVIDIA GeForce 980Ti )
  • 3 Storage nodes with 75 TB of capacity
  • 12 User workstations


Here is a schematic organization of our lab:

 
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