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Novel Bacterial Topoisomerase Inhibitors Exploit Asp83 and the Intrinsic Flexibility of the DNA Gyrase Binding Site

International journal of molecular sciences, 2018-02, Vol.19 (2), p.453

2018

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Polymers of ε-Caprolactone Using New Copper(II) and Zinc(II) Complexes as Initiators: Synthesis, Characterization and X-Ray Crystal Structures

Polymers, 2018-11, Vol.10 (11), p.1239

2018

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A Mechanistic Insight into the Cu(II)‐Catalyzed C–N and C–O Coupling Reaction of Arylglyoxylic Acids with Isatins; A DFT Investigation

European journal of organic chemistry, 2019-10, Vol.2019 (40), p.6776-6782

2019

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Gold(I)-Assisted α-Allylation of Enals and Enones with Alcohols

Angewandte Chemie (International ed.), 2015-12, Vol.54 (49), p.14885-14889

International ed. in English, 2015

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Influence of Steric Effect on the Pseudo-Multicomponent Synthesis of N -Aroylmethyl-4-Arylimidazoles

Molecules (Basel, Switzerland), 2022-02, Vol.27 (4), p.1165

2022

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Cu(II) and Zn(II) Complexes with Dinitrobenzoates and Pyrazolyl Ligands: Structural and Thermal Stability Influence of N–H Moiety

Crystal growth & design, 2019-06, Vol.19 (6), p.3348-3357

2019

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Asymmetric Phase-Transfer-Catalyzed Intramolecular N-Alkylation of Indoles and Pyrroles: A Combined Experimental and Theoretical Investigation

Chemistry : a European journal, 2010-11, Vol.16 (41), p.12462-12473

2010

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Computational evidence for the substrate-assisted catalytic mechanism of O-GlcNAcase. A DFT investigation

Physical chemistry chemical physics : PCCP, 2011-05, Vol.13 (20), p.9568-9577

2011

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Synthesis of 2,7-diarylpyrazolo [1,5-a] pyrimidine derivatives with antitumor activity. Theoretical identification of targets

European journal of medicinal chemistry reports, 2022-04, Vol.4, p.100028, Article 100028

2022

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A DFT Computational Study of the Bis-Silylation Reaction of Acetylene Catalyzed by Palladium Complexes

Journal of the American Chemical Society, 2002-05, Vol.124 (19), p.5506-5513

2002

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Amyloid-dependent triosephosphate isomerase nitrotyrosination induces glycation and tau fibrillation

Brain (London, England : 1878), 2009-05, Vol.132 (5), p.1335-1345

2009

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Methylglyoxal produced by amyloid-β peptide-induced nitrotyrosination of triosephosphate isomerase triggers neuronal death in Alzheimer's disease

Journal of Alzheimer's disease, 2014-01, Vol.41 (1), p.273-288

2014

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Aromatic Carbon–Carbon Bond Cleavage Using Tungsten Complexes. A DFT Computational Study

Organometallics, 2011-09, Vol.30 (18), p.4924-4934

2011

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Mechanistic Insights into Enantioselective Gold-Catalyzed Allylation of Indoles with Alcohols: The Counterion Effect

Journal of the American Chemical Society, 2012-12, Vol.134 (51), p.20690-20700

2012

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C–CN vs C–H Activation: Actual Mechanism of the Reaction between [(dippe)PtH]2 and Benzonitrile Evidenced by a DFT Computational Investigation

Organometallics, 2014-08, Vol.33 (16), p.4173-4182

2014

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Bis(oxazoline)titanium Complexes as Chiral Catalysts for Enantioselective Hydrosilylation of Ketones − A Combined Experimental and Theoretical Investigation

European journal of organic chemistry, 2003-08, Vol.2003 (15), p.2972-2984

2003

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Covalent or Non‐Covalent? A Mechanistic Insight into the Enantioselective Brønsted Acid Catalyzed Dearomatization of Indoles with Allenamides

ChemCatChem, 2018-06, Vol.10 (11), p.2442-2449

2018

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Variations in the Biophysical Properties of DMPG and DPPG Membranes with Staphyloxanthin: A Molecular Dynamics Simulation Study

Biophysical journal, 2021-02, Vol.120 (3), p.43a-43a

2021

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Unveiling the Reaction Machinery of the [AuI]‐Catalyzed Synthesis of Substituted Acenes by a [1,5]‐H Shift Cascade Reaction

ChemCatChem, 2017-01, Vol.9 (2), p.316-321

2017

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A Theoretical Study of Homogeneous Ziegler−Natta Catalysis

Organometallics, 1998-01, Vol.17 (1), p.16-24

1998

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Gold(I)-Catalyzed Dearomative [2+2]-Cycloaddition of Indoles with Activated Allenes: A Combined Experimental-Computational Study

Chemistry : a European journal, 2015-12, Vol.21 (50), p.18445-18453

2015

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DFT Computational Study of the Mechanism of Allyl Chloride Carbonylation Catalyzed by Palladium Complexes

Organometallics, 2005-04, Vol.24 (9), p.2086-2096

2005

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Functional Implications of Second-Shell Basic Residues for dUTPase DR2231 Enzymatic Specificity

ACS catalysis, 2020-12, Vol.10 (23), p.13825-13833

2020

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DFT Study of the Palladium-Catalyzed Cyclopropanation Reaction

Organometallics, 2001-06, Vol.20 (13), p.2751-2758

2001

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Metal Carbene or Carbenoid Complexes? A Theoretical Study of the Active Form of Transition Metal Catalysts in Cyclopropanation and Olefin Metathesis Reactions

Organometallics, 2000-12, Vol.19 (25), p.5529-5532

2000

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Novel Bacterial Topoisomerase Inhibitors Exploit Asp83 and the Intrinsic Flexibility of the DNA Gyrase Binding Site

Polymers of ε-Caprolactone Using New Copper(II) and Zinc(II) Complexes as Initiators: Synthesis, Characterization and X-Ray Crystal Structures

A Mechanistic Insight into the Cu(II)‐Catalyzed C–N and C–O Coupling Reaction of Arylglyoxylic Acids with Isatins; A DFT Investigation

Gold(I)-Assisted α-Allylation of Enals and Enones with Alcohols

Influence of Steric Effect on the Pseudo-Multicomponent Synthesis of N -Aroylmethyl-4-Arylimidazoles

Cu(II) and Zn(II) Complexes with Dinitrobenzoates and Pyrazolyl Ligands: Structural and Thermal Stability Influence of N–H Moiety

Asymmetric Phase-Transfer-Catalyzed Intramolecular N-Alkylation of Indoles and Pyrroles: A Combined Experimental and Theoretical Investigation

Computational evidence for the substrate-assisted catalytic mechanism of O-GlcNAcase. A DFT investigation

Synthesis of 2,7-diarylpyrazolo [1,5-a] pyrimidine derivatives with antitumor activity. Theoretical identification of targets

A DFT Computational Study of the Bis-Silylation Reaction of Acetylene Catalyzed by Palladium Complexes

Amyloid-dependent triosephosphate isomerase nitrotyrosination induces glycation and tau fibrillation

Methylglyoxal produced by amyloid-β peptide-induced nitrotyrosination of triosephosphate isomerase triggers neuronal death in Alzheimer's disease

Aromatic Carbon–Carbon Bond Cleavage Using Tungsten Complexes. A DFT Computational Study

Mechanistic Insights into Enantioselective Gold-Catalyzed Allylation of Indoles with Alcohols: The Counterion Effect

C–CN vs C–H Activation: Actual Mechanism of the Reaction between [(dippe)PtH]2 and Benzonitrile Evidenced by a DFT Computational Investigation

Bis(oxazoline)titanium Complexes as Chiral Catalysts for Enantioselective Hydrosilylation of Ketones − A Combined Experimental and Theoretical Investigation

Covalent or Non‐Covalent? A Mechanistic Insight into the Enantioselective Brønsted Acid Catalyzed Dearomatization of Indoles with Allenamides

Variations in the Biophysical Properties of DMPG and DPPG Membranes with Staphyloxanthin: A Molecular Dynamics Simulation Study

Unveiling the Reaction Machinery of the [AuI]‐Catalyzed Synthesis of Substituted Acenes by a [1,5]‐H Shift Cascade Reaction

A Theoretical Study of Homogeneous Ziegler−Natta Catalysis

Gold(I)-Catalyzed Dearomative [2+2]-Cycloaddition of Indoles with Activated Allenes: A Combined Experimental-Computational Study

DFT Computational Study of the Mechanism of Allyl Chloride Carbonylation Catalyzed by Palladium Complexes

Functional Implications of Second-Shell Basic Residues for dUTPase DR2231 Enzymatic Specificity

DFT Study of the Palladium-Catalyzed Cyclopropanation Reaction

Metal Carbene or Carbenoid Complexes? A Theoretical Study of the Active Form of Transition Metal Catalysts in Cyclopropanation and Olefin Metathesis Reactions

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