MANCINI, GIORDANO

MANCINI, GIORDANO  

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Titolo Data di pubblicazione Autori Tipo File
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution 1-gen-2021 Potenti S.Spada L.Fuse' M.Mancini G.Puzzarini C.Barone V. + 1.1 Articolo in rivista
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies 1-gen-2016 MACCHIAGODENA, MARINAMANCINI, GIORDANOBARONE, Vincenzo + 1.1 Articolo in rivista
An amber compatible molecular mechanics force field for the anticancer drug topotecan 1-gen-2009 MANCINI, GIORDANO + 1.1 Articolo in rivista
An X-ray diffraction and X-ray absorption spectroscopy joint study of neuroglobin 1-gen-2010 MANCINI, GIORDANO + 1.1 Articolo in rivista
Analysis of L-DOPA and droxidopa binding to human β2-adrenergic receptor 1-gen-2021 Biswas A. D.Catte A.Mancini G.Barone V. 1.1 Articolo in rivista
Assessment of Multi-Scale Approaches for Computing UV-Vis Spectra in Condensed Phases: Toward an Effective yet Reliable Integration of Variational and Perturbative QM/MM Approaches 1-gen-2019 Del Galdo S.Chandramouli B.Mancini G.Barone V. 1.1 Articolo in rivista
Association between single nucleotide polymorphisms (SNPs) and milk production traits in Italian Brown cattle 1-gen-2013 MANCINI, GIORDANO + 1.1 Articolo in rivista
Binding of an Indenoisoquinoline to the topoisomerase-DNA complex induces reduction of linker mobility and strengthening of protein-DNA interaction 1-gen-2012 MANCINI, GIORDANO + 1.1 Articolo in rivista
Boundary condition effects on the dynamic and electric properties of hydration layers 1-gen-2015 CHANDRAMOULI, BALASUBRAMANIANMANCINI, GIORDANOBRANCATO, Giuseppe + 1.1 Articolo in rivista
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 1-gen-2015 CHANDRAMOULI, BALASUBRAMANIANDI MAIO, DANILOMANCINI, GIORDANOBARONE, VincenzoBRANCATO, Giuseppe 1.1 Articolo in rivista
Carbon monoxide binding to the heme group at the dimeric interface modulates structure and copper accessibility in the Cu,Zn superoxide dismutase from Haemophilus ducreyi: in silico and in vitro evidences 1-gen-2012 MANCINI, GIORDANO + 1.1 Articolo in rivista
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality 1-gen-2020 Martino M.Salvadori A.Paoloni L.Nandi S.Mancini G.Barone V.Rampino S. + 1.1 Articolo in rivista
Cherry-picking functionally relevant substates from long md trajectories using a stratified sampling approach 1-gen-2016 Chandramouli B.Mancini G. 1.1 Articolo in rivista
Combined X-ray absorption spectroscopy and Molecular Dynamics study of the Hg2+ aqua ion 1-gen-2007 MANCINI, GIORDANOBARONE, Vincenzo + 4.1 Contributo in Atti di convegno
Combining the Fluctuating Charge Method, Non-periodic Boundary Conditions and Meta-dynamics: Aqua Ions as Case Studies 1-gen-2014 MANCINI, GIORDANOBRANCATO, GiuseppeBARONE, Vincenzo 1.1 Articolo in rivista
A computational approach to the resonance Raman spectrum of doxorubicin in aqueous solution 1-gen-2016 MANCINI, GIORDANOCAPPELLI, Chiara + 1.1 Articolo in rivista
Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics 1-gen-2020 Mancini G.Del Galdo S.Chandramouli B.Pagliai M.Barone V. 1.1 Articolo in rivista
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 1-gen-2017 Macchiagodena, MarinaDel Frate, GianlucaBrancato, GiuseppeChandramouli, BalasubramanianMancini, GiordanoBarone, Vincenzo 1.1 Articolo in rivista
Conformational analysis and UV/Vis spectroscopic properties of a rotaxane-based molecular machine in acetonitrile dilute solution: when simulations meet experiments 1-gen-2010 MANCINI, GIORDANO + 1.1 Articolo in rivista
A Coupled Molecular Dynamics and XANES Data Analysis Investigation of Aqueous Cadmium(II) 1-gen-2008 MANCINI, GIORDANO + 1.1 Articolo in rivista