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Understanding Surface Interaction and Inclusion Complexes between Piroxicam and Native or Crosslinked β-Cyclodextrins: The Role of Drug Concentration

Molecules (Basel, Switzerland), 2020-06, Vol.25 (12), p.2848

2020

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Classical atomistic simulations of protein adsorption on carbon nanomaterials

Current opinion in colloid & interface science, 2019-06, Vol.41, p.11-26

2019

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Surface Topography Effects in Protein Adsorption on Nanostructured Carbon Allotropes

Langmuir, 2013-04, Vol.29 (15), p.4883-4893

2013

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Protein Adsorption on a Hydrophobic Surface: A Molecular Dynamics Study of Lysozyme on Graphite

Langmuir, 2010-04, Vol.26 (8), p.5679-5689

2010

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A Molecular Dynamics Study of a Photodynamic Sensitizer for Cancer Cells: Inclusion Complexes of γ-Cyclodextrins with C70

International journal of molecular sciences, 2019-09, Vol.20 (19), p.4831

2019

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Surface Interactions between Ketoprofen and Silica-Based Biomaterials as Drug Delivery System Synthesized via Sol-Gel: A Molecular Dynamics Study

Materials, 2022-04, Vol.15 (8), p.2759

2022

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Adsorption Affinities of Small Volatile Organic Molecules on Graphene Surfaces for Novel Nanofiller Design: A DFT Study

Molecules (Basel, Switzerland), 2023-11, Vol.28 (22), p.7633

2023

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Different Drug Mobilities in Hydrophobic Cavities of Host–Guest Complexes between β-Cyclodextrin and 5-Fluorouracil at Different Stoichiometries: A Molecular Dynamics Study in Water

International journal of molecular sciences, 2024-06, Vol.25 (11), p.5888

2024

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Dendrimer Dynamics: A Review of Analytical Theories and Molecular Simulation Methods

Polymers, 2020-06, Vol.12 (6), p.1387

2020

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Adsorption and Self-Aggregation of Chiral [5]-Aza[6]helicenes on DNA Architecture: A Molecular Dynamics Study

The journal of physical chemistry. B, 2023-10, Vol.127 (39), p.8285-8295

Raffaini, Giuseppina

2023

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Adsorption of Chiral [5]-Aza[5]helicenes on DNA Can Modify Its Hydrophilicity and Affect Its Chiral Architecture: A Molecular Dynamics Study

Materials, 2020-11, Vol.13 (21), p.5031

2020

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Molecular modeling and phylogenetic analyses highlight the role of amino acid 347 of the N1 subtype neuraminidase in influenza virus host range and interspecies adaptation

Frontiers in microbiology, 2023-12, Vol.14, p.1309156-1309156

2023

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L-Arginine-Derived Polyamidoamine Oligomers Bearing at Both Ends β-Cyclodextrin Units as pH-Sensitive Curcumin Carriers

Polymers, 2022-08, Vol.14 (15), p.3193

2022

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Inclusion complexes of β-cyclodextrin with tricyclic drugs: an X-ray diffraction, NMR and molecular dynamics study

Beilstein journal of organic chemistry, 2017-04, Vol.13 (1), p.714-719

2017

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Vibrational Properties of (8,8) and (10,10) SWCNTs before and after Albumin Fragment Adsorption: A Molecular Dynamics Study

Macromolecular symposia., 2022-08, Vol.404 (1), p.n/a

Raffaini, Giuseppina

2022

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Aggregation behaviour of amphiphilic cyclodextrins: the nucleation stage by atomistic molecular dynamics simulations

Beilstein journal of organic chemistry, 2015-12, Vol.11 (1), p.2459-2473

2015

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Aggregation behavior of amphiphilic cyclodextrins in a nonpolar solvent: evidence of large-scale structures by atomistic molecular dynamics simulations and solution studies

Beilstein journal of organic chemistry, 2016-01, Vol.12 (1), p.73-80

2016

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Molecular Dynamics Simulation of the Adsorption of a Fibronectin Module on a Graphite Surface

Langmuir, 2004-04, Vol.20 (8), p.3371-3378

2004

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Validating a Strategy for Molecular Dynamics Simulations of Cyclodextrin Inclusion Complexes through Single-Crystal X-ray and NMR Experimental Data: A Case Study

The journal of physical chemistry. B, 2009-07, Vol.113 (27), p.9110-9122

2009

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Hydrogen Bonding in a l -Glutamine-Based Polyamidoamino Acid and its pH-Dependent Self-Ordered Coil Conformation

Polymers, 2020-04, Vol.12 (4), p.881

2020

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Computer simulation of polypeptide adsorption on model biomaterials

Physical chemistry chemical physics : PCCP, 2005-11, Vol.7 (21), p.3651-3663

2005

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Surface Chemistry, Crystal Structure, Size and Topography Role in the Albumin Adsorption Process on TiO2 Anatase Crystallographic Faces and Its 3D-Nanocrystal: A Molecular Dynamics Study

Coatings (Basel), 2021-04, Vol.11 (4), p.420

Raffaini, Giuseppina

2021

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Different Conformational Properties and Frequencies of Periodic Motion in the β‐ and γ‐Cyclodextrin

Macromolecular symposia., 2023-10, Vol.411 (1), p.n/a

2023

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Adsorption of Albumin Fragments on Crystalline SWCNTs: How Surface Curvature Can Affect Protein Secondary Structure

Macromolecular symposia., 2023-10, Vol.411 (1), p.n/a

2023

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Self-Structuring in Water of Polyamidoamino Acids with Hydrophobic Side Chains Deriving from Natural α-Amino Acids

Polymers, 2018-11, Vol.10 (11), p.1261

2018

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Understanding Surface Interaction and Inclusion Complexes between Piroxicam and Native or Crosslinked β-Cyclodextrins: The Role of Drug Concentration

Classical atomistic simulations of protein adsorption on carbon nanomaterials

Surface Topography Effects in Protein Adsorption on Nanostructured Carbon Allotropes

Protein Adsorption on a Hydrophobic Surface: A Molecular Dynamics Study of Lysozyme on Graphite

A Molecular Dynamics Study of a Photodynamic Sensitizer for Cancer Cells: Inclusion Complexes of γ-Cyclodextrins with C70

Surface Interactions between Ketoprofen and Silica-Based Biomaterials as Drug Delivery System Synthesized via Sol-Gel: A Molecular Dynamics Study

Adsorption Affinities of Small Volatile Organic Molecules on Graphene Surfaces for Novel Nanofiller Design: A DFT Study

Different Drug Mobilities in Hydrophobic Cavities of Host–Guest Complexes between β-Cyclodextrin and 5-Fluorouracil at Different Stoichiometries: A Molecular Dynamics Study in Water

Dendrimer Dynamics: A Review of Analytical Theories and Molecular Simulation Methods

Adsorption and Self-Aggregation of Chiral [5]-Aza[6]helicenes on DNA Architecture: A Molecular Dynamics Study

Adsorption of Chiral [5]-Aza[5]helicenes on DNA Can Modify Its Hydrophilicity and Affect Its Chiral Architecture: A Molecular Dynamics Study

Molecular modeling and phylogenetic analyses highlight the role of amino acid 347 of the N1 subtype neuraminidase in influenza virus host range and interspecies adaptation

L-Arginine-Derived Polyamidoamine Oligomers Bearing at Both Ends β-Cyclodextrin Units as pH-Sensitive Curcumin Carriers

Inclusion complexes of β-cyclodextrin with tricyclic drugs: an X-ray diffraction, NMR and molecular dynamics study

Vibrational Properties of (8,8) and (10,10) SWCNTs before and after Albumin Fragment Adsorption: A Molecular Dynamics Study

Aggregation behaviour of amphiphilic cyclodextrins: the nucleation stage by atomistic molecular dynamics simulations

Aggregation behavior of amphiphilic cyclodextrins in a nonpolar solvent: evidence of large-scale structures by atomistic molecular dynamics simulations and solution studies

Molecular Dynamics Simulation of the Adsorption of a Fibronectin Module on a Graphite Surface

Validating a Strategy for Molecular Dynamics Simulations of Cyclodextrin Inclusion Complexes through Single-Crystal X-ray and NMR Experimental Data: A Case Study

Hydrogen Bonding in a l -Glutamine-Based Polyamidoamino Acid and its pH-Dependent Self-Ordered Coil Conformation

Computer simulation of polypeptide adsorption on model biomaterials

Surface Chemistry, Crystal Structure, Size and Topography Role in the Albumin Adsorption Process on TiO2 Anatase Crystallographic Faces and Its 3D-Nanocrystal: A Molecular Dynamics Study

Different Conformational Properties and Frequencies of Periodic Motion in the β‐ and γ‐Cyclodextrin

Adsorption of Albumin Fragments on Crystalline SWCNTs: How Surface Curvature Can Affect Protein Secondary Structure

Self-Structuring in Water of Polyamidoamino Acids with Hydrophobic Side Chains Deriving from Natural α-Amino Acids

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