Laboratorio di ricerca
| Lab. name | Computational Structural Biology |
|---|---|
| Principal Investigator | Francesca Fanelli |
| Components | Francesca Fanelli (Principal Investigator
)
Angelo Felline (Assegnista ) |
| Description | Research in F. Fanelli lab essentially concerns the employment of computational modeling to infer the functioning mechanism of G protein-Coupled Receptors (GPCRs) and their associated G proteins. Effort is put on deciphering the structural determinants of genetic diseases linked to GPCR missense mutations. More recently, interest extended to small Ras GTPases, in particular RhoA and its activating RhoGEF oncogenes, with the aim to discover/design anticancer agents. Essential aspects of the research include development of protocols and software for tertiary and quaternary protein structure predictions and for the analyses of biomolecular structures and dynamics (e.g. Wordom: http://wordom.sourceforge.net/). In this respect, a computational protocol for high throughput investigation of structural communication in bio-macromolecules has been developed and implemented in a web server (WebPSN: http://webpsn.hpc.unimore.it/). Recent studies concern also the integration of atomistic and network-level (Systems Biology) simulations to unveil the structural determinants of mutations linked to retinal diseases. |
| Address | via Giuseppe Campi, 103 - 41125 Modena |
| Keywords | Computational modeling, molecular simulations and analyses, structural bioinformatics, computational biochemistry, drug discovery/design, GPCRs, RasGTPases |
| ERC Sectors | LS2_14 Biological systems analysis, modelling and simulation LS7_3 Pharmacology, pharmacogenomics, drug discovery and design, drug therapy PE6_13 Bioinformatics, biocomputing, and DNA and molecular computation |
| Instrumentation | N. 8 graphic workstations; N. 1 Xeon Cluster (22x8 and 8x12 CPUs) N. 1 x Dual Xeon /GPU (2x10 CPUs and 2 x NVIDIA Tesla K40M). |
| Research Lines | Translational Medicine |
| Methodologies | Computational modeling, structure predictions, molecular simulations and analyses, drug discovery/design |
| Web Site | www.csbl.unimore.it/ |