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List of works by Giulia Palermo

All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome

scientific article published on 11 June 2018

Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics

scientific article published on 09 January 2020

Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics

scientific article

Allosteric cross-talk in chromatin can mediate drug-drug synergy

scientific article

Allostery in Its Many Disguises: From Theory to Applications

scientific article published on 07 February 2019

An Organometallic Compound which Exhibits a DNA Topology-Dependent One-Stranded Intercalation Mode

scientific article

An Organometallic Compound which Exhibits a DNA Topology-Dependent One-Stranded Intercalation Mode

An optimized polyamine moiety boosts the potency of human type II topoisomerase poisons as quantified by comparative analysis centered on the clinical candidate F14512.

scientific article published on 3 August 2015

Anandamide hydrolysis in FAAH reveals a dual strategy for efficient enzyme-assisted amide bond cleavage via nitrogen inversion

scientific article published on 3 October 2014

CRISPR-Cas9 conformational activation as elucidated from enhanced molecular simulations

scientific article

Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Molecular Dynamics

scientific article

Catalytic metal ions and enzymatic processing of DNA and RNA.

scientific article

Computational Characterization of the Dependence of Halide Perovskite Effective Masses on Chemical Composition and Structure

scientific article

Computational insights into function and inhibition of fatty acid amide hydrolase

scientific article

Controlled Trafficking of Multiple and Diverse Cations Prompts Nucleic Acid Hydrolysis

scientific article

Covalent inhibitors of fatty acid amide hydrolase: a rationale for the activity of piperidine and piperazine aryl ureas.

scientific article published on 8 September 2011

Cover Image, Volume 11, Issue 3

scientific article

Deciphering Off-Target Effects in CRISPR-Cas9 through Accelerated Molecular Dynamics

scientific article published on 07 March 2019

Development of Site-Specific Mg(2+)-RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics Simulations.

scientific article

Disclosing the Impact of Carcinogenic SF3b Mutations on Pre-mRNA Recognition Via All-Atom Simulations

scientific article published on 21 October 2019

Dissecting Structure and Function of DNA·RNA Hybrids

scientific article

Editorial: Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations

scientific article published on 28 August 2020

Effect of electronegative substituents and angular dependence on the heteronuclear spin-spin coupling constant 3J(C-H): an empirical prediction equation derived by density functional theory calculations.

scientific article published in March 2010

Establishing the allosteric mechanism in CRISPR‐Cas9

scientific article

Faces of Contemporary CryoEM Information and Modeling

scientific article published on 01 May 2020

Factor H-Inspired Design of Peptide Biomarkers of the Complement C3d Protein

scientific article published on 28 February 2020

Fighting COVID-19 Using Molecular Dynamics Simulations

scientific article published on 12 October 2020

Fighting Cancer with Transition Metal Complexes: From Naked DNA to Protein and Chromatin Targeting Strategies

scientific article published on 04 December 2015

Folding-upon-repair DNA nanoswitches for monitoring DNA repair enzymes activity

scientific article published on 08 January 2021

Folding‐upon‐Repair DNA Nanoswitches for Monitoring the Activity of DNA Repair Enzymes

scientific article

Frontiers in CryoEM Modeling

scientific article published on 13 June 2019

Gaussian accelerated molecular dynamics: Principles and applications

scientific article

Key role of the REC lobe during CRISPR-Cas9 activation by 'sensing', 'regulating', and 'locking' the catalytic HNH domain

scientific article published on 03 August 2018

Keys to Lipid Selection in Fatty Acid Amide Hydrolase Catalysis: Structural Flexibility, Gating Residues and Multiple Binding Pockets

scientific article (publication date: June 2015)

Mapping the Structural and Dynamic Determinants of pH-sensitive Heparin Binding to Granulocyte Macrophage-colony Stimulating Factor

scientific article published on 08 September 2020

Molecular Dynamics Reveals a DNA-Induced Dynamic Switch Triggering Activation of CRISPR-Cas12a

scientific article published on 27 October 2020

Molecular Simulations Highlight the Role of Metals in Catalysis and Inhibition of Type II Topoisomerase

scientific article published on 9 January 2013

Molecular mechanism of off-target effects in CRISPR-Cas9

scientific article

NMR and computational methods for molecular resolution of allosteric pathways in enzyme complexes

scientific article published on 14 December 2019

Protospacer Adjacent Motif-Induced Allostery Activates CRISPR-Cas9.

scientific article published on 2 August 2017

Pushing the frontiers of first-principles based computer simulations of chemical and biological systems

scientific article published on January 2011

Spontaneous Embedding of DNA Mismatches Within the RNA:DNA Hybrid of CRISPR-Cas9

scientific article published on 17 March 2020

Striking Plasticity of CRISPR-Cas9 and Key Role of Non-target DNA, as Revealed by Molecular Simulations.

scientific article

Structural Basis for Reduced Dynamics of Three Engineered HNH Endonuclease Lys-to-Ala Mutants for the Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-Associated 9 (CRISPR/Cas9) Enzyme

scientific article published on 14 April 2022

Structure and Dynamics of the Acyl Chains in the Membrane Trafficking and Enzymatic Processing of Lipids

scientific article published on 31 July 2019

Structure and Dynamics of the CRISPR-Cas9 Catalytic Complex

scientific article published on 27 February 2019

The Molecular Basis for Dual Fatty Acid Amide Hydrolase (FAAH)/Cyclooxygenase (COX) Inhibition

scientific article published on 23 November 2015

The invisible dance of CRISPR-Cas9. Simulations unveil the molecular side of the gene-editing revolution

scientific article published on 01 April 2019

Two-Metal Ion Mechanism of DNA Cleavage in CRISPR-Cas9

Understanding the mechanistic basis of non-coding RNA through molecular dynamics simulations

scientific article published in June 2019

Valence and conduction band tuning in halide perovskites for solar cell applications

scientific article

Wagging the Tail: Essential Role of Substrate Flexibility in FAAH Catalysis

scientific article published on 15 January 2013

Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II Introns

scientific article published on 16 June 2016

Women Make COMP: Mentoring the Next Generation of Women in Computational Chemistry

scientific article published on 16 September 2019

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