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Walter Rocchia

Senior Researcher Tenured - Principal Investigator
Senior Researcher Tenured - Principal Investigator
Computational mOdelling of NanosCalE and bioPhysical sysTems
Research center

Walter Rocchia graduated cum laude in Electronic Engineering on July 1996, with a thesis on Quantum Computing. In February 2000, he got a PhD in Electronic Devices at the University of Trento. He then was a Research Scholar at the Biochemistry Department of the Columbia University, developing models to calculate the electrostatic field generated by biological macromolecules in solution. As a consultant in the Corporate Technology Centre at Honeywell Int (NJ, USA), and then at the Bioengineering Research Centre "E. Piaggio" of University of Pisa he studied the modeling of the physical properties of actuating polymers and nanotubes in a wet environment. In 2003 he joined the Molecular Biophysics group of National Enterprise for nanoScience and Nanotechnology (NEST-INFM-CNR), at Scuola Normale Superiore of Pisa, working on molecular recognition and targeting. There, he extended his interests from algorithms for speeding up and making more accurate the calculation of the electrostatic interaction energy of biomolecules to Bioinformatic and Biostatistical techniques aimed at identifying targets and engineering molecules involved in biochemical pathways of medical relevance.

In 2008, he moved to the Drug Discovery and Development Department of the Italian Institute of Technology (IIT), working on computational approaches to ligand-protein binding free energy estimation. In 2010 he was awarded, together with the Clemson University, a NIH 5-years grant entitled: DelPhi: Software for Electrostatic Modeling of Biomolecules and Objects.

In 2014, he created the Computational mOdelling of NanosCalE and bioPhysical sysTems (CONCEPT) Lab and co-founded the BiKi Technologies company. 

He is author of more than 80 publications including International Journals, book contributions and Proceedings.

All Publications
Spitaleri A., Garoli D., Schutte M., Lehrach H., Rocchia W., De Angelis F.
Adaptive nanopores: A bioinspired label-free approach for protein sequencing and identification
Nano Research, vol. 14, (no. 1), pp. 328-333
Article Journal
Riccardi L., Decherchi S., Rocchia W., Zanoni G., Cavalli A., Mancin F., De Vivo M.
Molecular Recognition by Gold Nanoparticle-Based Receptors as Defined through Surface Morphology and Pockets Fingerprint
Journal of Physical Chemistry Letters, vol. 12, (no. 23), pp. 5616-5622
Article Journal
Raffo A., Fugacci U., Biasotti S., Rocchia W., Liu Y., Otu E., Zwiggelaar R., Hunter D., Zacharaki E. I., Psatha E., Laskos D., Arvanitis G., Moustakas K., Aderinwale T., Christoffer C., Shin W-H., Kihara D., Giachetti A., Nguyen H-N., Nguyen T-D., Nguyen-Truong V-T., Le-Thanh D., Nguyen H-D., Tran M-T.
SHREC 2021 track: Retrieval and classification of protein surfaces equipped with physical and chemical properties
Computers and Graphics
Article in Press Journal
Spitaleri A., Zia S.R., Di Micco P., Al-Lazikani B., Soler M.A., Rocchia W.
Tuning Local Hydration Enables a Deeper Understanding of Protein-Ligand Binding: The PP1-Src Kinase Case
Journal of Physical Chemistry Letters, pp. 49-58
Bendandi A., Dante S., Zia S.R., Diaspro A., Rocchia W.
Chromatin Compaction Multiscale Modeling: A Complex Synergy Between Theory, Simulation, and Experiment
Frontiers in Molecular Biosciences, vol. 7
Oral presentations
Rocchia W.
Allosteric communication networks in proteins revealed through pocket Crosstalk analysis
256th ACS National Meeting
Rocchia W.
MD-binding: Enabling fully dynamic simulation of binding for real-world drug-target systems
254th ACS National Meeting Washington