Publications
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
Mazzeo MD., DiFlorio V., Rocchia W., Decherchi S.
Patch-Based Ray Tracing in NanoShaper Boosts Molecular Surface Computation
Journal of Chemical Information and Modeling
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)
2025
Jonnalagadda A., Agrawal A., Sharma A., Rocchia W., Succi S.
Towards nonlinear thermohydrodynamic simulations via the Onsager-Regularized Lattice Boltzmann Method
arXiv
2024
Tandiana R., Barletta G.P., Soler M.A., Fortuna S., Rocchia W.
Computational Mutagenesis of Antibody Fragments: Disentangling Side Chains from ΔΔG Predictions
Journal of Chemical Theory and Computation, vol. 20, (no. 6), pp. 2630-2642
2024
Balasubramanian K.K., Salvo M.D., Rocchia W., Decherchi S., Crepaldi M.
Designing RISC-V Instruction Set Extensions for Artificial Neural Networks: An LLVM Compiler-Driven Perspective
IEEE Access, vol. 12, pp. 55925-55944
2024
Barletta G.P., Tandiana R., Soler M., Fortuna S., Rocchia W.
Locuaz: an in-silico platform for antibody fragments optimization
arXiv
2024
Barletta G.P., Tandiana R., Soler M., Fortuna S., Rocchia W.
Locuaz: an in silico platform for protein binders optimization
Bioinformatics, vol. 40, (no. 8)
2024
Bosio S., Bernetti M., Rocchia W., Masetti M.
Similarities and Differences in Ligand Binding to Protein and RNA Targets: The Case of Riboflavin
Journal of Chemical Information and Modeling, vol. 64, (no. 11), pp. 4570-4586