Pubblicazioni
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
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
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 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
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., Di Salvo M., Rocchia W., Decherchi S., Crepaldi M.
Designing RISC-V Instruction Set Extensions for Artificial Neural Networks: An LLVM Compiler-Driven Perspective
IEEE Access
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
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
2023
Yang W., Rocchia W.
Biomolecular Electrostatic Phenomena: An Evergreen Field
Journal of Physical Chemistry B, vol. 127, (no. 18), pp. 3979-3981
2023
Balboni B., Masi M., Rocchia W., Girotto S., Cavalli A.
GSK-3β Allosteric Inhibition: A Dead End or a New Pharmacological Frontier?
International Journal of Molecular Sciences, vol. 24, (no. 8)
2023
Soler M.A., Minovski N., Rocchia W., Fortuna S.
Replica-exchange optimization of antibody fragments
Computational Biology and Chemistry, vol. 103
2023
Gagliardi L., Rocchia W.
SiteFerret: Beyond Simple Pocket Identification in Proteins
Journal of Chemical Theory and Computation, vol. 19, (no. 15), pp. 5242-5259
2023
Douaki A., Stuber A., Hengsteler J., Momotenko D., Rogers D.M., Rocchia W., Hirst J.D., Nakatsuka N., Garoli D.
Theoretical analysis of divalent cation effects on aptamer recognition of neurotransmitter targets
Chemical Communications, vol. 59, (no. 99), pp. 14713-14716