Welcome to the Molecular Modeling Section (MMS) of the Department of Pharmaceutical and Pharmacological Sciences, at the University of Padova in Italy. Our mission is to develop and apply new IT and computational methodologies to speed up the identification and development of new drug candidates through the creation of collaborative interfaces with synthetic chemistry, biochemistry and biology, pharmacology, and different medical disciplines.
In the spirit of the motto "interdisciplinarity is dialog" the aim of the MMS is to face computational medicinal chemistry and therapeutic needs in collaboration with all field experts... not mixing our expertise 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, 384 cores, 1.4 TB RAM)
- 10 GPU compute nodes (30 nVidia GPU cards: 12 GTX from 980Ti to 1080Ti and 18 RTX from 2080 to 4090 )
- 3 Storage nodes with 283 TB of capacity
- 12 User workstations
Here is a schematic organization of our lab:
