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Synthesis of novel 2,9-disubstituted-6-morpholino purine derivatives assisted by virtual screening and modelling of class I PI3K isoforms

Polymers, 2023-03, Vol.15 (7), p.1-27

2023

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Mechanism of Hair Curling via Laccase-Assisted Tyrosine Grafting Using BSA as a Model Protein

Journal of natural fibers, 2023-04, Vol.20 (1), p.1-12

2023

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Hofmeister effects on protein stability are dependent on the nature of the unfolded state

Physical chemistry chemical physics : PCCP, 2021-11, Vol.23 (44), p.2521-25225

2021

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Addressing the Structural Organization of Silicone Alternatives in Formulations by Molecular Dynamics Simulations and a Novel Equilibration Protocol

Polymers, 2023-02, Vol.15 (4), p.796

2023

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Aryl-capped lysine-dehydroamino acid dipeptide supergelators as potential drug release systems

International journal of molecular sciences, 2022-10, Vol.23 (19), p.11811

2022

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Non-Canonical Amino Acids as Building Blocks for Peptidomimetics: Structure, Function, and Applications

Biomolecules (Basel, Switzerland), 2023-06, Vol.13 (6), p.981

2023

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Electrostatics of tau protein by molecular dynamics

Biomolecules (Basel, Switzerland), 2019-03, Vol.9 (3), p.116

2019

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The Structural Properties of Odorants Modulate Their Association to Human Odorant Binding Protein

Biomolecules (Basel, Switzerland), 2021-01, Vol.11 (2), p.145

2021

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Acetylation and phosphorylation processes modulate Tau’s binding to microtubules: A molecular dynamics study

Biochimica et biophysica acta. General subjects, 2023-02, Vol.1867 (2), p.130276-130276, Article 130276

2023

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From groove binding to intercalation: unravelling the weak interactions and other factors modulating the modes of interaction between methylated phenanthroline-based drugs and duplex DNA

Physical chemistry chemical physics : PCCP, 2021-12, Vol.23 (47), p.2668-26695

2021

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α-Chymotrypsin catalyses the synthesis of methotrexate oligomers

Process biochemistry (1991), 2020-11, Vol.98, p.193-201

2020

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Solvent‐free synthesis of hydrophobic and amphiphilic esters using a chemically modified lipase from Thermomyces lanuginosus: a comparative study with native and immobilized forms

Chembiochem : a European journal of chemical biology, 2024-02, Vol.25 (4), p.e202300843-n/a

2024

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Golgi α-mannosidase: opposing structures of Drosophila melanogaster and novel human model using molecular dynamics simulations and docking at different pHs

Journal of biomolecular structure & dynamics, 2024-03, Vol.42 (5), p.2714-2725

2024

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The effect of high-energy environments on the structure of laccase-polymerized poly(catechol)

Ultrasonics sonochemistry, 2018-11, Vol.48, p.275-280

2018

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Catalytic activation of esterases by PEGylation for polyester synthesis

ChemCatChem, 2019-05, Vol.11 (10), p.2490-2499

2019

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Substrate hydrophobicity and enzyme modifiers play a major role in the activity of lipase from Thermomyces lanuginosus

Catalysis science & technology, 2020, Vol.10 (17), p.5913-5924

2020

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Two Engineered OBPs with opposite temperature-dependent affinities towards 1-aminoanthracene

Scientific reports, 2018-10, Vol.8 (1), p.14844-12, Article 14844

2018

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OBP fused with cell-penetrating peptides promotes liposomal transduction

Colloids and surfaces, B, Biointerfaces, 2018-01, Vol.161, p.645-653

2018

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Grafting of adipic anhydride to carbon nanotubes through a Diels-Alder cycloaddition/oxidation cascade reaction

Carbon (New York), 2016-03, Vol.98, p.421-431

2016

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Conformational and Thermodynamic Properties of Non-Canonical α,α-Dialkyl Glycines in the Peptaibol Alamethicin: Molecular Dynamics Studies

The journal of physical chemistry. B, 2014-08, Vol.118 (33), p.9861-9870

2014

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Modeling the secondary structures of the peptaibols antiamoebin I and zervamicin II modified with D-amino acids and proline analogues

Journal of molecular modeling, 2017-11, Vol.23 (11), p.313-15, Article 313

2017

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Modeling of Peptaibol Analogues Incorporating Nonpolar α,α-Dialkyl Glycines Shows Improved α‑Helical Preorganization and Spontaneous Membrane Permeation

The journal of physical chemistry. B, 2014-01, Vol.118 (3), p.649-658

2014

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Physicochemical Properties of New Silicone Alternatives Unraveled by Experimental and Molecular Modeling Techniques

Industrial & engineering chemistry research, 2024-05, Vol.63 (22), p.9715-9731

2024

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Hydration is not detrimental for Glycerol:Lactic acid deep eutectic mixtures

Journal of molecular liquids, 2023-12, Vol.391, p.123249, Article 123249

2023

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Green Extraction of Cork Bioactive Compounds Using Natural Deep Eutectic Mixtures

ACS sustainable chemistry & engineering, 2022-06, Vol.10 (24), p.7974-7989

2022

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Synthesis of novel 2,9-disubstituted-6-morpholino purine derivatives assisted by virtual screening and modelling of class I PI3K isoforms

Mechanism of Hair Curling via Laccase-Assisted Tyrosine Grafting Using BSA as a Model Protein

Hofmeister effects on protein stability are dependent on the nature of the unfolded state

Addressing the Structural Organization of Silicone Alternatives in Formulations by Molecular Dynamics Simulations and a Novel Equilibration Protocol

Aryl-capped lysine-dehydroamino acid dipeptide supergelators as potential drug release systems

Non-Canonical Amino Acids as Building Blocks for Peptidomimetics: Structure, Function, and Applications

Electrostatics of tau protein by molecular dynamics

The Structural Properties of Odorants Modulate Their Association to Human Odorant Binding Protein

Acetylation and phosphorylation processes modulate Tau’s binding to microtubules: A molecular dynamics study

From groove binding to intercalation: unravelling the weak interactions and other factors modulating the modes of interaction between methylated phenanthroline-based drugs and duplex DNA

α-Chymotrypsin catalyses the synthesis of methotrexate oligomers

Solvent‐free synthesis of hydrophobic and amphiphilic esters using a chemically modified lipase from Thermomyces lanuginosus: a comparative study with native and immobilized forms

Golgi α-mannosidase: opposing structures of Drosophila melanogaster and novel human model using molecular dynamics simulations and docking at different pHs

The effect of high-energy environments on the structure of laccase-polymerized poly(catechol)

Catalytic activation of esterases by PEGylation for polyester synthesis

Substrate hydrophobicity and enzyme modifiers play a major role in the activity of lipase from Thermomyces lanuginosus

Two Engineered OBPs with opposite temperature-dependent affinities towards 1-aminoanthracene

OBP fused with cell-penetrating peptides promotes liposomal transduction

Grafting of adipic anhydride to carbon nanotubes through a Diels-Alder cycloaddition/oxidation cascade reaction

Conformational and Thermodynamic Properties of Non-Canonical α,α-Dialkyl Glycines in the Peptaibol Alamethicin: Molecular Dynamics Studies

Modeling the secondary structures of the peptaibols antiamoebin I and zervamicin II modified with D-amino acids and proline analogues

Modeling of Peptaibol Analogues Incorporating Nonpolar α,α-Dialkyl Glycines Shows Improved α‑Helical Preorganization and Spontaneous Membrane Permeation

Physicochemical Properties of New Silicone Alternatives Unraveled by Experimental and Molecular Modeling Techniques

Hydration is not detrimental for Glycerol:Lactic acid deep eutectic mixtures

Green Extraction of Cork Bioactive Compounds Using Natural Deep Eutectic Mixtures

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