| 2024 |
Diffusion Correction in Fricke Hydrogel Dosimeters: A Deep Learning Approach with 2D and 3D Physics-Informed Neural Network Models |
Articolo in rivista |
Vai |
| 2024 |
Conformational Space of the Translocation Domain of Botulinum Toxin: Atomistic Modeling and Mesoscopic
Description of the Coiled-Coil Helix Bundle |
Articolo in rivista |
Vai |
| 2024 |
Deep learning approach for diffusion correction in Fricke hydrogel dosimeters |
Articolo in rivista |
Vai |
| 2022 |
A Long Journey into the Investigation of the Structure–Dynamics–Function Paradigm in Proteins through the Activities of the Palermo Biophysics Group |
Articolo in rivista |
Vai |
| 2022 |
Computational methods and theory for ion channel research |
Articolo in rivista |
Vai |
| 2022 |
In Silico Conformational Features of Botulinum Toxins A1 and E1 According to Intraluminal Acidification |
Articolo in rivista |
Vai |
| 2021 |
“Water Association” Band in Saccharide Amorphous Matrices: Role of Residual Water on Bioprotection |
Articolo in rivista |
Vai |
| 2021 |
Thermodynamics and kinetics of ion translocation in the human wild-type and E-1_A α7 nicotinic receptor |
Articolo in rivista |
Vai |
| 2020 |
Hepatitis B protein HBx binds the DLEU2 lncRNA to sustain cccDNA and host cancer-related gene transcription |
Articolo in rivista |
Vai |
| 2020 |
Thermodynamics and kinetics of ion permeation in wild-type and mutated open active conformation of the human α7 nicotinic receptor |
Articolo in rivista |
Vai |
| 2020 |
Understanding and Controlling Food Protein Structure and Function in Foods: Perspectives from Experiments and Computer Simulations |
Articolo in rivista |
Vai |
| 2019 |
More than a Confinement: “Soft” and “Hard” Enzyme Entrapment Modulates Biological Catalyst Function |
Articolo in rivista |
Vai |
| 2018 |
Closed-Locked and Apo-Resting State Structures of the Human α7 Nicotinic Receptor: A Computational Study |
Articolo in rivista |
Vai |
| 2018 |
Bioprotection Can Be Tuned with Proper Protein/Saccharide Ratio: The Case of Solid Amorphous Matrices |
Articolo in rivista |
Vai |
| 2017 |
The water association band as a marker of hydrogen bonds in trehalose amorphous matrices |
Articolo in rivista |
Vai |
| 2017 |
Biopreservation of Myoglobin in Crowded Environment: A Comparison between Gelatin and Trehalose Matrixes |
Articolo in rivista |
Vai |
| 2017 |
A possible desensitized state conformation of the human α7 nicotinic receptor: A molecular dynamics study |
Articolo in rivista |
Vai |
| 2015 |
Ultrafast myoglobin structural dynamics observed with an X-ray free-electron laser |
Articolo in rivista |
Vai |
| 2015 |
Observing myoglobin proteinquake with an X-ray free-electron laser |
Abstract in atti di convegno pubblicato in rivista |
Vai |
| 2015 |
Proteins in saccharides matrices and the trehalose peculiarity: Biochemical and biophysical properties |
Articolo in rivista |
Vai |
| 2015 |
A Structural Model of the Human α7 Nicotinic Receptor in an Open Conformation |
Articolo in rivista |
Vai |
| 2014 |
Large scale motions in models of human nicotinic receptors |
Capitolo o Saggio |
Vai |
| 2014 |
Conformational Changes in Acetylcholine Binding Protein Investigated by Temperature Accelerated Molecular Dynamicscottone |
Proceedings |
Vai |
| 2014 |
Conformational changes in acetylcholine binding protein investigated by Temperature Accelerated Molecular Dynamics |
Articolo in rivista |
Vai |
| 2014 |
Molecular dynamics simulations of a new model of human a7 nicotinic receptor |
Proceedings |
Vai |
| 2013 |
Proteins in amorphous saccharide matrices: Structural and dynamical insights on bioprotection |
Articolo in rivista |
Vai |
| 2013 |
Cosolutes affect structure and dynamics of myoglobin-trehalose amorphous systems:
a FTIR and MD study |
Proceedings |
Vai |
| 2013 |
Acceleration of the AChBP conformational transition using Temperarure Accelerated Molecular Dynamics |
Proceedings |
Vai |
| 2013 |
Water effects on saccharide matrices studied with molecular dynamics |
Proceedings |
Vai |
| 2013 |
Proteins in amorphous disaccharides: insights on bioprotection from Molecular Dynamics simulations and FTIR experiments |
Proceedings |
Vai |
| 2013 |
Multiphoton Absorption of Myoglobin-Nitric Oxide Complex: Relaxation by D-NEMD of a Stationary State |
Proceedings |
Vai |
| 2013 |
Protein Bioprotection in disaccharides: a multiscale approach |
Proceedings |
Vai |
| 2012 |
Exploring the dynamics of AChBP unbound and bound to the Lobeline partial agonist |
Proceedings |
Vai |
| 2012 |
Water effects on trehalose matrices studied through Molecular Dynamics |
Proceedings |
Vai |
| 2012 |
Multiphoton Absorption of Myoglobin–Nitric Oxide Complex: Relaxation by D-NEMD of a Stationary State |
Articolo in rivista |
Vai |
| 2011 |
Computational Modeling of Geminate Recombination and Energy Relaxation of Nitric Oxide in Myoglobin under Constant Illumination, |
Proceedings |
Vai |
| 2011 |
The electric properties of ionic solutions: a molecular dynamics (preliminary) study |
Proceedings |
Vai |
| 2011 |
Proteins in Amorphous Saccharides: Structural and Dynamical Insights on Bioprotection |
Capitolo o Saggio |
Vai |
| 2011 |
A FTIR study on low hydration saccharide amorphous matrices: Thermal behaviour of the Water Association Band |
Articolo in rivista |
Vai |
| 2011 |
MbCo in Saccharide Solid Amorphous Systems: A Combined FTIR and SAXS Study |
Proceedings |
Vai |
| 2011 |
The electric properties of ionic solutions: a molecular dynamics (preliminary) study |
Proceedings |
Vai |
| 2011 |
Protein Thermal Denaturation and Matrix Glass transition in Different Protein-Trehalose-Water Systems |
Articolo in rivista |
Vai |
| 2010 |
Mapping the network of pathways of Co diffusion in myoglobin |
Articolo in rivista |
Vai |
| 2010 |
A calorimetric study of ternary protein-trehalose-water systems: matrix glass transition and protein thermal denaturation |
Proceedings |
Vai |
| 2010 |
Matrix glass transition and embedded protein denaturation: effect of trehalose on different proteins |
Proceedings |
Vai |
| 2010 |
Effect of protein net charge and steric hindrance on the glass transition of Protein-Trehalose-Water systems and on protein thermal denaturation |
Proceedings |
Vai |
| 2010 |
Hydrogen bond properties of saccharide matrices studied through Infrared Water Association Band |
Altro |
Vai |
| 2010 |
FTIR and SAXS study on MBCO-saccharide amorphous systems: protein-matrix reciprocal effects |
Proceedings |
Vai |
| 2010 |
Myoglobin embedded in saccharide amorphous matrices: water-dependent domains evidenced by small angle X-ray scattering |
Articolo in rivista |
Vai |
| 2010 |
Mapping CO diffusion paths in Myoglobin with the Single Sweep Method |
Proceedings |
Vai |
| 2009 |
Thermal Denaturation of Myoglobin in Water−Disaccharide Matrixes: Relation with the Glass Transition of the System |
Articolo in rivista |
Vai |
| 2009 |
Relationship between the Glass Transition of Myoglobin-Water-Disaccharide systems and Protein Thermal Denaturation |
Proceedings |
Vai |
| 2009 |
Thermal Denaturation of Myoglobin in Water–Sugar Matrices and Relationship with the Glass Transition of the System |
Proceedings |
Vai |
| 2009 |
Atomistic MD simulation of proteins in complex solvents |
Proceedings |
Vai |
| 2009 |
SAXS and FTIR study on MbCO-Saccharide amorphous systems |
Proceedings |
Vai |
| 2009 |
MbCO↔matrix reciprocal effects in low hydration amorphous saccharide systems: a FTIR study |
Proceedings |
Vai |
| 2009 |
Thermal Behavior of dry and hydrated MbCO crowded systems |
Proceedings |
Vai |
| 2009 |
FTIR Study on Reciprocal Protein↔Matrix effects in dry amorphous saccharide systems |
Proceedings |
Vai |
| 2008 |
Density Functional Theory study of the TTC> TTT Isomerization of a Photochromic Spyropiran Merocyanine |
Articolo in rivista |
Vai |
| 2008 |
MAPPING THE FREE ENERGY LANDSCAPE OF CO DIFFUSION IN MYOGLOBIN |
Proceedings |
Vai |
| 2008 |
Protein-Matrix Coupling in MbCO embedded in saccharide matrices |
Proceedings |
Vai |
| 2008 |
Ricostruzione del panorama di energia libera per il processo di diffusione del CO all'interno della mioglobina IES08, Maggio 08. |
Proceedings |
Vai |
| 2008 |
Thermal evolution of the CO stretching band in carboxy-myoglobin in the light of neutron scattering and molecular dynamics simulations |
Articolo in rivista |
Vai |
| 2007 |
Single Molecule Study of GFP-mut2 Proteins Caged in Trehalose-Water Matrixes: Spatially Inhomogeneous Protein-Water-Sugar Structures |
Articolo in rivista |
Vai |
| 2007 |
Role of residual water hydrogen bonding in sugar/water/biomolecule systems: a possible explanation for trehalose peculiarity |
Articolo in rivista |
Vai |
| 2007 |
Interconversion among low tier substates in MbCO: an FTIR, Neutron Scattering and Molecular Dynamics simulation study |
Proceedings |
Vai |
| 2007 |
Structure-dynamics-function of proteins: Molecular Dynamics simulations of myoglobin in water and complex solvents |
Proceedings |
Vai |
| 2007 |
GFP-mut2 proteins in trehalose-water matrixes: spatially heterogeneous protein-water-sugar structure |
Proceedings |
Vai |
| 2007 |
A COMPARATIVE STUDY OF CARBOXY MYOGLOBIN IN SACCHARIDE/WATER SYSTEMS BY MOLECULAR DYNAMICS SIMULATION |
Articolo in rivista |
Vai |
| 2006 |
The Role of Solvent on Protein-Matrix Coupling in MbCO Embedded in Water-Saccharide Systems |
Proceedings |
Vai |
| 2006 |
MOLECULAR DYNAMICS SIMULATIONS COMPLEMENT EXPERIMENTAL DATA ON PROTEIN EMBEDDED IN SUGAR-WATER SYSTEMS |
Proceedings |
Vai |
| 2006 |
Role of Solvent on Protein-Matrix Coupling in MbCO Embedded in Water-Saccharide Systems: an FTIR study. |
Articolo in rivista |
Vai |
| 2006 |
ROLE OF SOLVENT ON PROTEIN-MATRIX COUPLING IN MBCO EMBEDDED IN WATER-SACCHARIDE SYSTEMS: AN FTIR STUDY |
Proceedings |
Vai |
| 2006 |
Protein-solvent coupling in carboxy-myoglobin--sugar-water systems by Molecular Dynamics Simulation |
Proceedings |
Vai |
| 2006 |
Inhomogeneous Protein-Water-Sugar Structures of Single GFP-mut2 Proteins Caged in Trehalose-Water Matrixes |
Proceedings |
Vai |
| 2006 |
Protein-solvent coupling in carboxy-myoglobin-sugar-water systems Molecular Dynamics Simulations and Experiments |
Proceedings |
Vai |
| 2006 |
Water association band as a marker of the matrix structure in amorphous saccharide and saccharide-protein samples |
Proceedings |
Vai |
| 2006 |
Water association band : anuseful tool for studying the water structure in samples of low water content |
Proceedings |
Vai |
| 2005 |
Lipid Phase Transition in Saccharide-Coated Cholate-Containing Liposomes: Coupling to the Surrounding Matrix |
Proceedings |
Vai |
| 2005 |
Internal Dynamics and Protein-Matrix Coupling in Trehalose Coated Proteins |
Articolo in rivista |
Vai |
| 2005 |
Protein-solvent coupling in carboxy-myoglobin/sugar/water systems by molecular dynamics simulations |
Proceedings |
Vai |
| 2005 |
Water Association Band as marker of
the matrix structure in amorphous saccharide
and saccharide–protein samples |
Proceedings |
Vai |
| 2005 |
Protein-solvent coupling in carboxymyoglobin/sugar/water systems by molecular dynamics simulation |
Proceedings |
Vai |
| 2005 |
Molecular Dynamics simulation of sucrose coated and trehalose coated carboxy-myoglobin |
Articolo in rivista |
Vai |
| 2004 |
Structure-dynamics coupling between protein and external matrix in sucrose coated and in trehalose coated MbCO: a FTIR study |
Articolo in rivista |
Vai |
| 2004 |
Molecular Dynamics simulation of carboxy-myoglobin in trehalose and sucrose-water systems |
Proceedings |
Vai |
| 2004 |
Atomic mean square displacements in proteins by Molecular Dynamics: a case for analysis of variance |
Altro |
Vai |
| 2004 |
Theoretical study of the spiropyran-merocyanine thermal isomerization |
Articolo in rivista |
Vai |
| 2004 |
Atomic mean square displacements in proteins by Molecular Dynamics: a case for analysis of variance |
Articolo in rivista |
Vai |
| 2004 |
STRUCTURE-DYNAMICS COUPLING BETWEEN PROTEIN AND EXTERNAL MATRIX IN MBCO EMBEDDED IN VARIOUS SACCHARIDE MATRICES: A FTIR STUDY |
Proceedings |
Vai |
| 2004 |
Structure and Dynamics in Glassy and Plasticized Amorphous Disaccharide-Water Samples: A FTIR Study |
Proceedings |
Vai |
| 2004 |
Thermal evolution of heme pocket structure in trehalose coated carboxy-myoglobin probed by FTIR measurements |
Capitolo o Saggio |
Vai |
| 2004 |
Molecular Dynamics simulation of carboxy-myoglobin in trehalose and sucrose-water systems |
Proceedings |
Vai |
