GOBBO, DOROTHEA

GOBBO, DOROTHEA  

DIPARTIMENTO DI FARMACIA E BIOTECNOLOGIE  

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Titolo Autore(i) Anno Periodico Editore Tipo File
Computational analysis of the effect of [Tea][Ms] and [Tea][H2PO4] ionic liquids on the structure and stability of Aβ(17-42) amyloid fibrils Gobbo D.; Cavalli A.; Ballone P.; Benedetto A. 2021-01-01 PHYSICAL CHEMISTRY CHEMICAL PHYSICS - 1.01 Articolo in rivista -
Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations Gobbo D.; Piretti V.; Di Martino R.M.C.; Tripathi S.K.; Giabbai B.; Storici P.; Demitri N.; Girot...to S.; Decherchi S.; Cavalli A. 2019-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista -
Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free Energy Bertazzo M.; Gobbo D.; Decherchi S.; Cavalli A. 2021-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista Bertazzo_etal2021.pdf
Solubility Advantage of Amorphous Ketoprofen. Thermodynamic and Kinetic Aspects by Molecular Dynamics and Free Energy Approaches Gobbo D.; Ballone P.; Decherchi S.; Cavalli A. 2020-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista -