Publications
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
2022
Reis P.B.P.S., Bertolini M., Montanari F., Rocchia W., Machuqueiro M., Clevert D.-A.
A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven p KaPredictions in Proteins
Journal of Chemical Theory and Computation, vol. 18, (no. 8), pp. 5068-5078
2022
Reis P.B.P.S., Barletta G.P., Gagliardi L., Fortuna S., Soler M.A., Rocchia W.
Antibody-Antigen Binding Interface Analysis in the Big Data Era
Frontiers in Molecular Biosciences, vol. 9
2022
Siryk S.V., Rocchia W.
Arbitrary-Shape Dielectric Particles Interacting in the Linearized Poisson-Boltzmann Framework: An Analytical Treatment
Journal of Physical Chemistry B, vol. 126, (no. 49), pp. 10400-10426
2022
Raffo A., Gagliardi L., Fugacci U., Sagresti L., Grandinetti S., Brancato G., Biasotti S., Rocchia W.
Chanalyzer: A Computational Geometry Approach for the Analysis of Protein Channel Shape and Dynamics
Frontiers in Molecular Biosciences, vol. 9
2022
Ruiz-Rodriguez M.A., Cooper C.D., Rocchia W., Casalegno M., Lopez De Los Santos Y., Raos G.
Modeling of the Electrostatic Interaction and Catalytic Activity of [NiFe] Hydrogenases on a Planar Electrode
Journal of Physical Chemistry B, vol. 126, (no. 43), pp. 8777-8790