D. Gobbo

发表

Absorption of Phosphonium Cations and Dications into a Hydrated POPC Phospholipid Bilayer: A Computational Study

P. Ballone, A. Benedetto, V. S. Pillai, 2022, The journal of physical chemistry. B.

Architecture of the MKK6-p38α complex defines the basis of MAPK specificity and activation

F. Gervasio, Ioannis Galdadas, M. Bowler, 2023, bioRxiv.

Computational analysis of the effect of [Tea][Ms] and [Tea][H2PO4] ionic liquids on the structure and stability of Aβ(17-42) amyloid fibrils.

A. Cavalli, P. Ballone, A. Benedetto, 2020, Physical chemistry chemical physics : PCCP.

The transition from salt-in-water to water-in-salt nanostructures in water solutions of organic ionic liquids relevant for biological applications.

P. Kumari, P. Ballone, A. Benedetto, 2020, Physical chemistry chemical physics : PCCP.

The Solubility Advantage of Amorphous Ketoprofen. Thermodynamic and Kinetic Aspects by Molecular Dynamics and Free Energy Approaches.

S. Decherchi, P. Ballone, A. Cavalli, 2020, Journal of chemical theory and computation.

Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.

A. Cavalli, R. D. Di Martino, P. Storici, 2019, Journal of chemical theory and computation.

Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free Energy

A. Cavalli, Martina Bertazzo, S. Decherchi, 2021, Journal of chemical theory and computation.

Coarse-Grained Model of Entropy-Driven Demixing.

P. Ballone, B. Garabato, D. Gobbo, 2020, The journal of physical chemistry. B.

Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.

R. D. Di Martino, N. Demitri, S. Decherchi, 2019, Journal of chemical theory and computation.