Publications by authors named "Angela Parise"

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Identification of a new small Rho GTPase inhibitor effective in glioblastoma human cells.
Angela Parise, Ivana Manini, Enrico Pobega, Sonia Covaceuszach, Luca Secco

Eur J Med Chem· August 2025

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The Effect of Chalcogen-Chalcogen Bond Formation in the New Delhi Metallo-β-Lactamase 1 Enzyme to Counteract Antibiotic Resistance.
Giada Ciardullo, Mario Prejanò, Angela Parise, Nino Russo, Tiziana Marino

J Chem Theory Comput· February 2025

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Assessing the Mechanism of Rac1b: An All-Atom Simulation Study of the Alternative Spliced Variant of Rac1 Small Rho GTPase.
Sofia Cresca, Angela Parise, Alessandra Magistrato

J Chem Inf Model· December 2024

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Molecular dynamics simulations for the structure-based drug design: targeting small-GTPases proteins.
Angela Parise, Sofia Cresca, Alessandra Magistrato

Expert Opin Drug Discov· October 2024

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Assessing the mechanism of fast-cycling cancer-associated mutations of Rac1 small Rho GTPase.
Angela Parise, Alessandra Magistrato

Protein Sci· April 2024

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Viral RNA Replication Suppression of SARS-CoV-2: Atomistic Insights into Inhibition Mechanisms of RdRp Machinery by ddhCTP.
Giada Ciardullo, Angela Parise, Mario Prejanò, Tiziana Marino

J Chem Inf Model· March 2024

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On the Recognition of Natural Substrate CTP and Endogenous Inhibitor ddhCTP of SARS-CoV-2 RNA-Dependent RNA Polymerase: A Molecular Dynamics Study.
Angela Parise, Giada Ciardullo, Mario Prejanò, Aurélien de la Lande, Tiziana Marino

J Chem Inf Model· October 2022

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The Se-S Bond Formation in the Covalent Inhibition Mechanism of SARS-CoV-2 Main Protease by Ebselen-like Inhibitors: A Computational Study.
Angela Parise, Isabella Romeo, Nino Russo, Tiziana Marino

Int J Mol Sci· September 2021

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Quantum Mechanical Predictions of the Antioxidant Capability of Moracin C Isomers.
Angela Parise, Bruna Clara De Simone, Tiziana Marino, Marirosa Toscano, Nino Russo

Front Chem· April 2021

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The physical stage of radiolysis of solvated DNA by high-energy-transfer particles: insights from new first principles simulations.
Aurelio Alvarez-Ibarra, Angela Parise, Karim Hasnaoui, Aurélien de la Lande

Phys Chem Chem Phys· April 2020

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The Antioxidant Capability of Higenamine: Insights from Theory.
Isabella Romeo, Angela Parise, Annia Galano, Nino Russo, Juan Raúl Alvarez-Idaboy

Antioxidants (Basel)· April 2020

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Attosecond dynamics simulations of glycine irradiated by α-particle: Comment on "A never-ending story in the sky: The secrets of chemical evolution" by C. Puzzarini and V. Barone.
Angela Parise, Aurelien de la Lande, Tiziana Marino, Nino Russo

Phys Life Rev· March 2020

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The Generation of the Oxidant Agent of a Mononuclear Nonheme Fe(II) Biomimetic Complex by Oxidative Decarboxylation. A DFT Investigation.
Angela Parise, Maria Costanza Muraca, Nino Russo, Marirosa Toscano, Tiziana Marino

Molecules· January 2020

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Intravaginal Application of Topical Black Salve for High-Grade Cervical Intraepithelial Neoplasia.
Peter J Ayoub, Angela Parise

Ochsner J· January 2020

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Quantum Chemical Topology of the Electron Localization Function in the Field of Attosecond Electron Dynamics.
Angela Parise, Aurelio Alvarez-Ibarra, Xiaojing Wu, Xiaodong Zhao, Julien Pilmé

J Phys Chem Lett· February 2018

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