Search Results - "Zarycz, M. Natalia C"

NMR 1H‑Shielding Constants of Hydrogen-Bond Donor Reflect Manifestation of the Pauli Principle by Zarycz, M. Natalia C, Fonseca Guerra, Célia

“…NMR spectroscopy is one of the most useful methods for detection and characterization of hydrogen bond (H-bond) interactions in biological systems. For H bonds…”
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Conformational and electronic study of dopamine interacting with the D2 dopamine receptor by Tosso, Rodrigo D., Parravicini, Oscar, Zarycz, M. Natalia C., Angelina, Emilio, Vettorazzi, Marcela, Peruchena, Nélida, Andujar, Sebastián, Enriz, Ricardo D.

“…We report an exhaustive conformational and electronic study on dopamine (DA) interacting with the D2 dopamine receptor (D2DR). For the first time, the complete…”
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Evaluating the conformational space of the active site of D2 dopamine receptor. Scope and limitations of the standard docking methods by Tosso, Rodrigo D., Zarycz, M. Natalia C., Schiel, Ayelén, Goicoechea Moro, Luisa, Baldoni, Héctor A., Angelina, Emilio, Enriz, Ricardo D.

“…We report here for the first time the potential energy surfaces (PES) of phenyletilamine (PEA) and meta‐tyramine (m‐OH‐PEA) at the D2 dopamine receptor (D2DR)…”
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Evaluating the conformational space of the active site of D 2 dopamine receptor. Scope and limitations of the standard docking methods by Tosso, Rodrigo D, Zarycz, M Natalia C, Schiel, Ayelén, Goicoechea Moro, Luisa, Baldoni, Héctor A, Angelina, Emilio, Enriz, Ricardo D

“…We report here for the first time the potential energy surfaces (PES) of phenyletilamine (PEA) and meta-tyramine (m-OH-PEA) at the D dopamine receptor (D2DR)…”
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NMR 1 H-Shielding Constants of Hydrogen-Bond Donor Reflect Manifestation of the Pauli Principle by Zarycz, M Natalia C, Fonseca Guerra, Célia

“…NMR spectroscopy is one of the most useful methods for detection and characterization of hydrogen bond (H-bond) interactions in biological systems. For H bonds…”
Get full text

Epitopes mapped onto SARS-CoV-2 receptor-binding motif by five distinct human neutralising antibodies by Gutiérrez, Lucas J., Tosso, Rodrigo D., Zarycz, M. Natalia C., Enriz, Ricardo D., Baldoni, Héctor A.

“…An Immune complex formation is mediated through intermolecular interactions between proteins and antigens. In the present study, in silico methods were used to…”
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Investigation of the resonance-assisted hydrogen bond in model β-diketones through localized molecular orbital analysis of the spin-spin coupling constants related to the O-H · · · O hydrogen bond by Zarycz, M. Natalia C., Provasi, Patricio F.

“…The resonance‐assisted hydrogen bond (HB) phenomenon has been studied theoretically by a localized molecular orbital (LMO) decomposition of the spin–spin…”
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Conformational and electronic study of dopamine interacting with the D 2 dopamine receptor by Tosso, Rodrigo D., Parravicini, Oscar, Zarycz, M. Natalia C., Angelina, Emilio, Vettorazzi, Marcela, Peruchena, Nélida, Andujar, Sebastián, Enriz, Ricardo D.

“…We report an exhaustive conformational and electronic study on dopamine (DA) interacting with the D 2 dopamine receptor (D 2 DR). For the first time, the…”
Get full text

Investigation of the resonance-assisted hydrogen bond in model [beta]-diketones through localized molecular orbital analysis of the spin-spin coupling constants related to the O-H···O hydrogen bond by Zarycz, M Natalia C, Provasi, Patricio F

“…The resonance-assisted hydrogen bond (HB) phenomenon has been studied theoretically by a localized molecular orbital (LMO) decomposition of the spin-spin…”
Get full text