Publications
2026
Piovesan D., Rasekh N., Soler M.A., Rocchia W., Esposito G., Fogolari F., Tosatto S.C.E.
Bluues2: an enhanced web server for fast and accurate electrostatic analysis of proteins and protein complexes
Protein Science
Article
Journal
2026
Nolasco F., Rigoli M., Girotto S., Rocchia W.
CDR grafting as a strategy to develop HER2 S310F/Y-selective VHHs: design, modeling, and biophysical characterization
12th International Conference on Biological Physics
Poster
Conference
2026
Ferrazzano L., Bonvicini F., Satvati S., Corbisiero D., Rizzo S., Di Stefano I., Cantelmi P., Panzavolta S., Gentilomi G.A., Rocchia W., Cabri W., Tolomelli A.
Effect of minimal structural modifications on the membrane interaction of short antimicrobial peptides: An experimental and computational study
European Journal of Medicinal Chemistry, vol. 312
2026
Jonnalagadda A., Rocchia W., Succi S.
Generalized Onsager-regularized lattice Boltzmann framework
Physics of Fluids, vol. 38, (no. 8)
2026
Mazzeo M.D., Di Florio V., Rocchia W., Decherchi S.
Patch-Based Ray Tracing in NanoShaper Boosts Molecular Surface Computation
Journal of Chemical Information and Modeling, vol. 66, (no. 1), pp. 461-471
2026
Alharbi S., Kumawat A., Huntington B., Momin A.A., Alfaiyz S., di Florio V., Rigoli M., Londono K.C., Rocchia W., Sandholu A., Arold S.T.
SCRIB inhibits PP1 phosphatase activity without blocking or structurally altering its active site
Journal of Biological Chemistry
2026
Ropon-Palacios G., Crespi L.G.F., Martins I.B.S., Rocchia W., de Araujo A.S.
Synergistic Effects of pH and Temperature on Dengue Virus Envelope Dimers: Insights from Microsecond Molecular Dynamics Simulations
Journal of Chemical Information and Modeling
2025
Soler M.A., Yakout R.B.A., Ozkilinc O., Esposito G., Rocchia W., Klein C., Fogolari F.
Bluues_cplx: Electrostatics at Protein–Protein and Protein–Ligand Interfaces
Molecules, vol. 30, (no. 1)
2025
Nolasco F., Medagli B., La Manna S., Marasco D., Caporale A., Geremia S., De Zorzi R., Soler M. A., Rocchia W., Fortuna S.
Enhancing Nanobody Specificity: Experimental Evidence Of The Performance Of The LOCUAZ Binder Design Platform
15th European Biophysics Congress
Poster
Conference
2025
Siryk S.V., Rocchia W.
Exact Screening-Ranged Expansions for Many-Body Electrostatics
arXiv
2025
Mak J.K., Bendandi A., Salim J.A., Mazoni I., de Moraes F.R., Borro L., Stortz F., Rocchia W., Neshich G., Minary P.
Learning to utilize internal protein 3D nanoenvironment descriptors in predicting CRISPR–Cas9 off-target activity
NAR Genomics and Bioinformatics, vol. 7, (no. 2)
2025
Siryk S., Rocchia W.
Many interacting particles in solution. III. Spectral analysis of the associated Neumann--Poincaré-type operators
arXiv
2025
Siryk S., Rocchia W.
Many interacting particles in solution. II. Screening-ranged expansion of electrostatic forces
arXiv
2025
Siryk S., Rocchia W.
Many interacting particles in solution. I. Screening-ranged expansions of electrostatic potential and energy
arXiv
2025
Abate C., Serra E., Rocchia W., Cavalli A., Decherchi S.
NanoShaperWeb: Molecular Surface and Pocket Detection Made Visual
Journal of Chemical Information and Modeling
2025
Di Florio V., Ansalone P., Siryk S.V., Decherchi S., de Falco C., Rocchia W.
NextGenPB: an analytically-enabled super resolution and local (de)refinement Poisson-Boltzmann Equation solver
arXiv
2025
Di Florio V., Ansalone P., Siryk S.V., Decherchi S., de Falco C., Rocchia W.
NextGenPB: An analytically-enabled super resolution tool for solving the Poisson-Boltzmann equation featuring local (de)refinement
Computer Physics Communications, vol. 317
2025
Jonnalagadda A., Agrawal A., Sharma A., Rocchia W., Succi S.
Towards nonlinear thermohydrodynamic simulations via the Onsager-regularized lattice-Boltzmann method
Physical Review Research, vol. 7, (no. 3)