IIT Publications Search

Publications
2021
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
2021
Scafuri N., Soler M. A., Spitaleri A., Rocchia W.
An enhanced molecular dynamics method to efficiently increase the discrimination capability of computational protein-protein docking
Journal of Chemical Theory and Computation
Article Journal
2021
Siryk S.V., Bendandi A., Diaspro A., Rocchia W.
Charged dielectric spheres interacting in electrolytic solution: A linearized Poisson-Boltzmann equation model
Journal of Chemical Physics, vol. 155, (no. 11)
Article Journal
2021
Adedeji Olulana A.F., Soler M.A., Lotteri M., Vondracek H., Casalis L., Marasco D., Castronovo M., Fortuna S.
Computational evolution of beta-2-microglubulin binding peptides for nanopatterned surface sensors
International Journal of Molecular Sciences, vol. 22, (no. 2), pp. 1-18
2021
Soler M.A., Medagli B., Wang J., Oloketuyi S., Bajc G., Huang H., Fortuna S., De Marco A.
Effect of humanizing mutations on the stability of the llama single-domain variable region
Biomolecules, vol. 11, (no. 2), pp. 1-14
2021
Di Cristo L., Oomen A.G., Dekkers S., Moore C., Rocchia W., Murphy F., Johnston H.J., Janer G., Haase A., Stone V., Sabella S.
Grouping hypotheses and an integrated approach to testing and assessment of nanomaterials following oral ingestion
Nanomaterials, vol. 11, (no. 10)
Article Journal
2021
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
2021
Bhati A.P., Wan S., Alfè D., Clyde A. R., Bode M., Tan L., Titov M., Merzky A., Turilli M., Jha S., Highfield R. R., Rocchia W., Scafuri N., Succi S., Kranzlmüller D., Mathias G., Wifling D., Donon Y., Di Meglio A., Vallecorsa S., Ma H., Trifan A., Ramanathan A., Brettin T., Partin A., Xia F., Duan X., Stevens R., Coveney P. V.
Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers
Interface Focus, vol. 11
Article Journal
2021
Ochoa R., Soler M.A., Laio A., Cossio P.
PARCE: Protocol for Amino acid Refinement through Computational Evolution
Computer Physics Communications, vol. 260
Article Journal
2021
Le Gratiet A., Lanzano L., Bendandi A., Marongiu R., Bianchini P., Sheppard C., Diaspro A.
Phasor approach of Mueller matrix optical scanning microscopy for biological tissue imaging
Biophysical Journal, vol. 120, (no. 15), pp. 3112-3125
Article Journal
2021
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, vol. 99, pp. 1-21
Article Journal
2021
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, vol. 12, (no. 1), pp. 49-58
2020
Sturla F., Piatti F., Jaworek M., Lucherini F., Pluchinotta F.R., Siryk S.V., Giese D., Vismara R., Tasca G., Menicanti L., Redaelli A., Lombardi M.
4D Flow MRI hemodynamic benchmarking of surgical bioprosthetic valves
Magnetic Resonance Imaging, vol. 68, pp. 18-29
Article Journal
2020
Krasnoschok M., Pata V., Siryk S.V., Vasylyeva N.
A subdiffusive Navier–Stokes–Voigt system
Physica D: Nonlinear Phenomena, vol. 409
Article Journal
2020
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

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