IIT Publications Search

Publications
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
2023
Yang W., Rocchia W.
Biomolecular Electrostatic Phenomena: An Evergreen Field
Journal of Physical Chemistry B, vol. 127, (no. 18), pp. 3979-3981
Article Journal
2023
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
Article Journal
2023
Salpietro V., Galassi Deforie V., Efthymiou S., O'Connor E., Marce-Grau A., Maroofian R., Striano P., Zara F., Morrow M.M., Reich A., Blevins A., Sala-Coromina J., Accogli A., Fortuna S., Alesandrini M., Au P.Y.B., Singhal N.S., Cogne B., Isidor B., Hanna M.G., Macaya A., Kullmann D.M., Houlden H., Mannikko R.
De novo KCNA6 variants with attenuated KV1.6 channel deactivation in patients with epilepsy
Epilepsia, vol. 64, (no. 2), pp. 443-455
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
Siryk S.V., Vasylyeva N.
INITIAL-BOUNDARY VALUE PROBLEMS TO SEMILINEAR MULTI-TERM FRACTIONAL DIFFERENTIAL EQUATIONS
Communications on Pure and Applied Analysis, vol. 22, (no. 7), pp. 2321-2364
Article Journal
2023
Soler M.A., Minovski N., Rocchia W., Fortuna S.
Replica-exchange optimization of antibody fragments
Computational Biology and Chemistry, vol. 103
2023
Soler M. A., Minovski N., Rocchia W., Fortuna S.
Replica-exchange optimization of antibody fragments
Computational Biology and Chemistry, vol. 103
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
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
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
Gagliardi L., Pierre-Louis O.
Controlling anisotropy in 2D microscopic models of growth
Journal of Computational Physics, vol. 452

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