Pubblicazioni

Three-body potential for simulating bond swaps in molecular dynamics

2017 - THE EUROPEAN PHYSICAL JOURNAL. E, SOFT MATTER
Sciortino, Francesco

The influence of pH on the scleroglucan and scleroglucan/borax systems

2017 - MOLECULES
Mazzuca, Claudia; Bocchinfuso, Gianfranco; Palleschi, Antonio; Conflitti, Paolo; Grassi, Mario; Di Meo, Chiara; Alhaique, Franco; Coviello, Tommasina

Novel 5-oxo-hexahydroquinoline derivatives: design, synthesis, in vitro P-glycoprotein-mediated multidrug resistance reversal profile and molecular dynamics simulation study

2017 - DRUG DESIGN, DEVELOPMENT AND THERAPY
Shahraki, O.; Edraki, N.; Khoshneviszadeh, M.; Zargari, F.; Ranjbar, S.; Saso, L.; Firuzi, O.; Miri, R.

Molecular dynamics simulation unveils the conformational flexibility of the interdomain linker in the bacterial transcriptional regulator GabR from Bacillus subtilis bound to pyridoxal 5'-phosphate

2017 - PLOS ONE
Milano, Teresa; Gulzar, Adnan; Narzi, Daniele; Guidoni, Leonardo; Pascarella, Stefano

Mesoscopic organization in ionic liquids

2017 - TOPICS IN CURRENT CHEMISTRY
Russina, O.; Lo Celso, F.; Plechkova, N.; Jafta, C. J.; Appetecchi, G. B.; Triolo, A.

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