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
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
2023
Medagli B., Soler M.A., De Zorzi R., Fortuna S.
Antibody Affinity Maturation Using Computational Methods: From an Initial Hit to Small-Scale Expression of Optimized Binders
Methods in molecular biology (Clifton, N.J.), vol. 2552, pp. 333-359
2023
Scorrano G., D'Onofrio G., Accogli A., Severino M., Buchert R., Kotzaeridou U., Iapadre G., Farello G., Iacomino M., Dono F., Di Francesco L., Fiorile M.F., La Bella S., Corsello A., Cali E., Di Rosa G., Gitto E., Verrotti A., Fortuna S., Soler M.A., Chiarelli F., Oehl-Jaschkowitz B., Haack T.B., Zara F., Striano P., Salpietro V.
A PAK1 Mutational Hotspot Within the Regulatory CRIPaK Domain is Associated With Severe Neurodevelopmental Disorders in Children
Pediatric Neurology, vol. 149, pp. 84-92
Article
Journal
2023
Yang W., Rocchia W.
Biomolecular Electrostatic Phenomena: An Evergreen Field
Journal of Physical Chemistry B, vol. 127, (no. 18), pp. 3979-3981
Editorial
Journal
2023
Zampieri D., Calabretti A., Romano M., Fortuna S., Collina S., Amata E., Dichiara M., Marrazzo A., Mamolo M.G.
Cytotoxicity Profiles and Neuroprotective Properties of the Novel Ifenprodil Analogues as Sigma Ligands
Molecules, vol. 28, (no. 8)