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Ab Initio Spectroscopic Investigation of Pharmacologically Relevant Chiral Molecules: The Cases of Avibactam, Cephems, and Idelalisib as Benchmarks for Antibiotics and Anticancer Drugs

Symmetry (Basel), 2021-04, Vol.13 (4), p.601

2021

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Metallochaperones and metal-transporting ATPases: a comparative analysis of sequences and structures

Genome research, 2002-02, Vol.12 (2), p.255

2002

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Molecular Dynamics Study of the Cu2+ Binding-Induced “Structuring” of the N-Terminal Domain of Human Prion Protein

The journal of physical chemistry. B, 2009-03, Vol.113 (11), p.3277-3279

2009

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Ab-initio electronic, magnetic, and optical properties of Fe-phthalocyanine on NiO(001)

Inorganica Chimica Acta, 2024-03, Vol.562, p.121877, Article 121877

2024

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Eumelanin Adsorption on Silicon: Optical Properties of Si(001)-Adsorbed Eumelanin Tetrameric Protomolecules

Journal of physical chemistry. C, 2020-04, Vol.124 (17), p.9376-9384

2020

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Ab initio circular dichroism with the Yambo code: applications to dipeptides

IOP conference series. Materials Science and Engineering, 2022-11, Vol.1265 (1), p.12005

2022

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Extensive stacking of DHI-like monomers as a model of out-of-plane complexity in eumelanin protomolecules: Chemical and structural sensitivity of optical absorption spectra

Chemical physics, 2019-08, Vol.524, p.92-100

2019

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Electronic structure of uracil-like nucleobases adsorbed on Si(001): uracil, thymine and 5-fluorouracil

The European physical journal. B, Condensed matter physics, 2016-04, Vol.89 (4), p.1-9, Article 98

2016

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Self‐Assembled Monolayers of N‐Heterocyclic Olefins on Au(111)

Angewandte Chemie (International ed.), 2023-11, Vol.62 (46), p.e202311832-n/a

International ed. in English, 2023

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Optical Properties of Free and Si(001)‐Adsorbed Pyrimidinic Nucleobases

physica status solidi (b), 2018-04, Vol.255 (4), p.n/a

2018

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A systematic study of the valence electronic structure of cyclo(Gly-Phe), cyclo(Trp-Tyr) and cyclo(Trp-Trp) dipeptides in the gas phase

Physical chemistry chemical physics : PCCP, 2021-12, Vol.23 (47), p.26793-2685

2021

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NMR Studies of the Zn2+ Interactions with Rat and Human β-Amyloid (1−28) Peptides in Water-Micelle Environment

The journal of physical chemistry. B, 2008-01, Vol.112 (1), p.100-109

2008

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Structural features of the Cu( ii ) complex with the rat Aβ(1–28) fragment

Chemical communications (Cambridge, England), 2008 (3), p.341-343

2008

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Enhancement of Magnetic Stability in Antiferromagnetic CoO Films by Adsorption of Organic Molecules

ACS applied electronic materials, 2024-05, Vol.6 (5), p.3138-3146

2024

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Interaction Of The Human Prion PrP(106−126) Sequence With Copper(II), Manganese(II), And Zinc(II): NMR and EPR Studies

Journal of the American Chemical Society, 2005-01, Vol.127 (3), p.996-1006

2005

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Optical properties of organically functionalized silicon surfaces: Uracil-like nucleobases on Si(001)

Physical review. B, 2017-02, Vol.95 (7), Article 075437

2017

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Self‐Assembled Monolayers of N‐Heterocyclic Olefins on Au(111)

Angewandte Chemie, 2023-11, Vol.135 (46), p.n/a

2023

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Solution Structures of Cyclosporin A and Its Complex with Dysprosium(III) in SDS Micelles: NMR and Molecular Dynamics Studies

The journal of physical chemistry. B, 2008-01, Vol.112 (3), p.828-835

2008

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Molecular Dynamics Study of the Cu 2+ Binding-Induced “Structuring” of the N-Terminal Domain of Human Prion Protein

The journal of physical chemistry. B, 2009-03, Vol.113 (11), p.3277-3279

2009

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Heteronuclear and Homonuclear Cu2+ and Zn2+ Complexes with Multihistidine Peptides Based on Zebrafish Prion-like Protein

Inorganic chemistry, 2009-08, Vol.48 (15), p.7330-7340

2009

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Solution Structures of Cyclosporin A and Its Complex with Dysprosium(III) in SDS Micelles: NMR and Molecular Dynamics Studies

The journal of physical chemistry. B, 2008-01, Vol.112 (3), p.828-835

2008

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Structural Features of Apramycin Bound at the Bacterial Ribosome A Site as Detected by NMR and CD Spectroscopy

Chembiochem : a European journal of chemical biology, 2010-01, Vol.11 (2), p.166-169

2010

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Coordination pattern, solution structure and DNA damage studies of the copper(II) complex with the unusual aminoglycoside antibiotic hygromycin B

Dalton transactions : an international journal of inorganic chemistry, 2010-11, Vol.39 (41), p.9830-9837

2010

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Tandem Repeat-Like Domain of “Similar to Prion Protein” (StPrP) of Japanese Pufferfish Binds Cu(II) as Effectively as the Mammalian Protein

Biochemistry (Easton), 2006-10, Vol.45 (40), p.12227-12239

2006

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Coordination pattern, solution structure and DNA damage studies of the copper(ii) complex with the unusual aminoglycoside antibiotic hygromycin BElectronic supplementary information (ESI) available: Table S1. 1H-NMR parameters for HyB 1.5 mM, in the presence of Cu(ii) in a 50 : 1 ratio, in deuterated 20 mM MES buffer at pH 8.8, ionic strength 0.1 M (NaCl) and T 298 K. See DOI: 10.1039/c0dt00458h

2010-10

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Ab Initio Spectroscopic Investigation of Pharmacologically Relevant Chiral Molecules: The Cases of Avibactam, Cephems, and Idelalisib as Benchmarks for Antibiotics and Anticancer Drugs

Metallochaperones and metal-transporting ATPases: a comparative analysis of sequences and structures

Molecular Dynamics Study of the Cu2+ Binding-Induced “Structuring” of the N-Terminal Domain of Human Prion Protein

Ab-initio electronic, magnetic, and optical properties of Fe-phthalocyanine on NiO(001)

Eumelanin Adsorption on Silicon: Optical Properties of Si(001)-Adsorbed Eumelanin Tetrameric Protomolecules

Ab initio circular dichroism with the Yambo code: applications to dipeptides

Extensive stacking of DHI-like monomers as a model of out-of-plane complexity in eumelanin protomolecules: Chemical and structural sensitivity of optical absorption spectra

Electronic structure of uracil-like nucleobases adsorbed on Si(001): uracil, thymine and 5-fluorouracil

Self‐Assembled Monolayers of N‐Heterocyclic Olefins on Au(111)

Optical Properties of Free and Si(001)‐Adsorbed Pyrimidinic Nucleobases

A systematic study of the valence electronic structure of cyclo(Gly-Phe), cyclo(Trp-Tyr) and cyclo(Trp-Trp) dipeptides in the gas phase

NMR Studies of the Zn2+ Interactions with Rat and Human β-Amyloid (1−28) Peptides in Water-Micelle Environment

Structural features of the Cu( ii ) complex with the rat Aβ(1–28) fragment

Enhancement of Magnetic Stability in Antiferromagnetic CoO Films by Adsorption of Organic Molecules

Interaction Of The Human Prion PrP(106−126) Sequence With Copper(II), Manganese(II), And Zinc(II): NMR and EPR Studies

Optical properties of organically functionalized silicon surfaces: Uracil-like nucleobases on Si(001)

Self‐Assembled Monolayers of N‐Heterocyclic Olefins on Au(111)

Solution Structures of Cyclosporin A and Its Complex with Dysprosium(III) in SDS Micelles: NMR and Molecular Dynamics Studies

Molecular Dynamics Study of the Cu 2+ Binding-Induced “Structuring” of the N-Terminal Domain of Human Prion Protein

Heteronuclear and Homonuclear Cu2+ and Zn2+ Complexes with Multihistidine Peptides Based on Zebrafish Prion-like Protein

Solution Structures of Cyclosporin A and Its Complex with Dysprosium(III) in SDS Micelles: NMR and Molecular Dynamics Studies

Structural Features of Apramycin Bound at the Bacterial Ribosome A Site as Detected by NMR and CD Spectroscopy

Coordination pattern, solution structure and DNA damage studies of the copper(II) complex with the unusual aminoglycoside antibiotic hygromycin B

Tandem Repeat-Like Domain of “Similar to Prion Protein” (StPrP) of Japanese Pufferfish Binds Cu(II) as Effectively as the Mammalian Protein

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