Publications
2025
Rigoli M., Potestio R., Menichetti R.
A Multiscale Analysis of the CzrA Transcription Repressor Highlights the Allosteric Changes Induced by Metal Ion Binding
The Journal of Physical Chemistry B
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
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), pp. 159
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
Article
Journal
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
Article
Journal
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
Di Florio V., Giberti C., Rondoni L., Zhao H.
Microscopic state equation for oscillator chains
European Physical Journal Plus, vol. 139, (no. 7)
2024
Rondoni L., Di Florio V.
Probability Turns Material: The Boltzmann Equation
Entropy, vol. 26, (no. 2)
2024
Buzatu A.R., Soler M.A., Fortuna S., Ozkilinc O., Dreava D.M., Bitcan I., Badea V., Giannozzi P., Fogolari F., Gardossi L., Peter F., Todea A., Boeriu C.G.
Reactive natural deep eutectic solvents increase selectivity and efficiency of lipase catalyzed esterification of carbohydrate polyols
Catalysis Today, vol. 426
Article
Journal
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
Article
Journal