Lista de obras - Luis Rodriguez-Santiago - Dominio Público Uruguay

3D structures and redox potentials of Cu2+-Aβ(1-16) complexes at different pH: a computational study

artículo científico publicado en 2014

Binding properties of Cu(+/2+)-(glycyl)n glycine complexes (n = 1-3).

artículo científico publicado en 2008

Cation-pi Interactions and oxidative effects on Cu+ and Cu2+ binding to Phe, Tyr, Trp, and His amino acids in the gas phase. Insights from first-principles calculations

artículo científico publicado en 2006

Computational calculations of pKa values of imidazole in Cu(ii) complexes of biological relevance

artículo científico publicado en 2011

Coordination of (glycyl)(n)glycine (n = 1-3) to Co+ and Co2+.

artículo científico publicado en 2009

Coordination of NO(2) to Cu and Mg in M(NO(2))(2) Complexes. A Theoretical Study

scientific article published on 01 September 1998

Coordination properties of a metal chelator clioquinol to Zn(2+) studied by static DFT and ab initio molecular dynamics

artículo científico publicado en 2015

Coordination properties of the oxime analogue of glycine to Cu(II)

artículo científico publicado en 2005

Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level.

artículo científico publicado en 2010

DFT study on the recovery of Hoveyda-grubbs-type catalyst precursors in enyne and diene ring-closing metathesis.

artículo científico publicado en 2013

Dioxygen activation in the Cu-amyloid β complex.

artículo científico publicado en 2015

Drastic effect of the peptide sequence on the copper-binding properties of tripeptides and the electrochemical behaviour of their copper(II) complexes

artículo científico publicado en 2017

Effects of ionization, metal cationization and protonation on 2'-deoxyguanosine: changes on sugar puckering and stability of the N-glycosidic bond

artículo científico publicado en 2006

Elucidating the 3D structures of Al(iii)-Aβ complexes: a template free strategy based on the pre-organization hypothesis

artículo científico publicado en 2017

Enhanced Metallophilicity in Metal-Carbene Systems: Stronger Character of Aurophilic Interactions in Solution

scientific article published on 09 January 2020

Gas phase intramolecular proton transfer in cationized glycine and chlorine substituted derivatives (M-Gly, M = Na+, Mg2+, Cu+, Ni+, and Cu2+): existence of Zwitterionic structures?

artículo científico publicado en 2000

Influence of N7 protonation on the mechanism of the N-glycosidic bond hydrolysis in 2'-deoxyguanosine. A theoretical study

scientific article published on 04 May 2007

Influence of the Side Chain in the Structure and Fragmentation of Amino Acids Radical Cations

artículo científico publicado en 2007

Insights on the binding of Thioflavin derivative markers to amyloid-like fibril models from quantum chemical calculations

artículo científico publicado en 2013

Interaction of Co+ and Co2+ with glycine. A theoretical study

scientific article published on 01 January 2005

Intramolecular Photocycloaddition of 2(5H)-Furanones to Temporarly Tethered Terminal Alkenes as a Stereoselective Source of Enantiomerically Pure Polyfunctionalyzed Cyclobutanes.

artículo científico publicado en 2018

Is the peptide bond formation activated by Cu(2+) interactions? Insights from density functional calculations

artículo científico publicado en 2007

Mechanistic Insights into Ring-Closing Enyne Metathesis with the Second-Generation Grubbs-Hoveyda Catalyst: A DFT Study

scientific article published on 26 May 2011

Metal-mediated deamination of cytosine: experiment and DFT calculations

artículo científico publicado en 2004

Mixed adenine/guanine quartets with three trans-a2 Pt(II) (a=NH(3) or MeNH(2)) cross-links: linkage and rotational isomerism, base pairing, and loss of NH(3).

artículo científico publicado en 2014

Modeling Cu2+-Aβ complexes from computational approaches

Multiple Condensation Reactions Involving Pt(II) /Pd(II) -OH2 , Pt-NH3 , and Cytosine-NH2 Groups: New Twists in Cisplatin-Nucleobase Chemistry.

artículo científico publicado en 2016

On the bonding of first-row transition metal cations to guanine and adenine nucleobases

artículo científico publicado en 2007

On the electronic structure of second generation Hoveyda–Grubbs alkene metathesis precursors

Protonation of glycine, serine and cysteine. Conformations, proton affinities and intrinsic basicities

PtII Coordination to N1 of 9-Methylguanine: Why it Facilitates Binding of Additional Metal Ions to the Purine Ring

artículo científico publicado en 2011

Reactivity of Metal Carbenes with Olefins: Theoretical Insights on the Carbene Electronic Structure and Cyclopropanation Reaction Mechanism.

artículo científico publicado en 2018

Structure, Bonding, and Relative Stability of the Ground and Low-Lying Electronic States of CuO2. The Role of Exact Exchange

scientific article published on 01 February 2009

Structures and stabilities of Fe2+/3+ complexes relevant to Alzheimer's disease: an ab initio study

artículo científico publicado en 2011

The role of exact exchange in the description of Cu(2+)-(H(2)O)(n) (n = 1-6) complexes by means of DFT methods

artículo científico publicado en 2010

Thioflavin-T excimer formation upon interaction with amyloid fibers

artículo científico publicado en 2013

Thioflavin-based molecular probes for application in Alzheimer's disease: from in silico to in vitro models

artículo científico publicado en 2014

Three dimensional models of Cu(2+)-Aβ(1-16) complexes from computational approaches.

artículo científico publicado en 2011

Lista de obras de Luis Rodriguez-Santiago

3D structures and redox potentials of Cu2+-Aβ(1-16) complexes at different pH: a computational study

Binding properties of Cu(+/2+)-(glycyl)n glycine complexes (n = 1-3).

Cation-pi Interactions and oxidative effects on Cu+ and Cu2+ binding to Phe, Tyr, Trp, and His amino acids in the gas phase. Insights from first-principles calculations

Computational calculations of pKa values of imidazole in Cu(ii) complexes of biological relevance

Coordination of (glycyl)(n)glycine (n = 1-3) to Co+ and Co2+.

Coordination of NO(2) to Cu and Mg in M(NO(2))(2) Complexes. A Theoretical Study

Coordination properties of a metal chelator clioquinol to Zn(2+) studied by static DFT and ab initio molecular dynamics

Coordination properties of the oxime analogue of glycine to Cu(II)

Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level.

DFT study on the recovery of Hoveyda-grubbs-type catalyst precursors in enyne and diene ring-closing metathesis.

Dioxygen activation in the Cu-amyloid β complex.

Drastic effect of the peptide sequence on the copper-binding properties of tripeptides and the electrochemical behaviour of their copper(II) complexes

Effects of ionization, metal cationization and protonation on 2'-deoxyguanosine: changes on sugar puckering and stability of the N-glycosidic bond

Elucidating the 3D structures of Al(iii)-Aβ complexes: a template free strategy based on the pre-organization hypothesis

Enhanced Metallophilicity in Metal-Carbene Systems: Stronger Character of Aurophilic Interactions in Solution

Gas phase intramolecular proton transfer in cationized glycine and chlorine substituted derivatives (M-Gly, M = Na+, Mg2+, Cu+, Ni+, and Cu2+): existence of Zwitterionic structures?

Influence of N7 protonation on the mechanism of the N-glycosidic bond hydrolysis in 2'-deoxyguanosine. A theoretical study

Influence of the Side Chain in the Structure and Fragmentation of Amino Acids Radical Cations

Insights on the binding of Thioflavin derivative markers to amyloid-like fibril models from quantum chemical calculations

Interaction of Co+ and Co2+ with glycine. A theoretical study

Intramolecular Photocycloaddition of 2(5H)-Furanones to Temporarly Tethered Terminal Alkenes as a Stereoselective Source of Enantiomerically Pure Polyfunctionalyzed Cyclobutanes.

Is the peptide bond formation activated by Cu(2+) interactions? Insights from density functional calculations

Mechanistic Insights into Ring-Closing Enyne Metathesis with the Second-Generation Grubbs-Hoveyda Catalyst: A DFT Study

Metal-mediated deamination of cytosine: experiment and DFT calculations

Mixed adenine/guanine quartets with three trans-a2 Pt(II) (a=NH(3) or MeNH(2)) cross-links: linkage and rotational isomerism, base pairing, and loss of NH(3).

Modeling Cu2+-Aβ complexes from computational approaches

Multiple Condensation Reactions Involving Pt(II) /Pd(II) -OH2 , Pt-NH3 , and Cytosine-NH2 Groups: New Twists in Cisplatin-Nucleobase Chemistry.

On the bonding of first-row transition metal cations to guanine and adenine nucleobases

On the electronic structure of second generation Hoveyda–Grubbs alkene metathesis precursors

Protonation of glycine, serine and cysteine. Conformations, proton affinities and intrinsic basicities

PtII Coordination to N1 of 9-Methylguanine: Why it Facilitates Binding of Additional Metal Ions to the Purine Ring

Reactivity of Metal Carbenes with Olefins: Theoretical Insights on the Carbene Electronic Structure and Cyclopropanation Reaction Mechanism.

Structure, Bonding, and Relative Stability of the Ground and Low-Lying Electronic States of CuO2. The Role of Exact Exchange

Structures and stabilities of Fe2+/3+ complexes relevant to Alzheimer's disease: an ab initio study

The role of exact exchange in the description of Cu(2+)-(H(2)O)(n) (n = 1-6) complexes by means of DFT methods

Thioflavin-T excimer formation upon interaction with amyloid fibers

Thioflavin-based molecular probes for application in Alzheimer's disease: from in silico to in vitro models

Three dimensional models of Cu(2+)-Aβ(1-16) complexes from computational approaches.