Marco D'Abramo

ResearcherID Scopus Author ID Loop profile Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 53

Top Venues

Molecules (Basel, Switzerland)

Chemphyschem : a European journal of chemical physics and physical chemistry

International journal of molecular sciences

Proceedings of the National Academy of Sciences of the United States of America

Sapienza University of Rome

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Sapienza University of Rome Apr 01 2017

Italy

Professor :: Dept. Of Chemistry

Publications

Alessio Olivieri, Alessandro Nicola Nardi, Marco D'Abramo
Theoretical Insights into MutY Glycosylase DNA Repair Mechanism. Biochemistry (2024)
Alessandro Nicola Nardi, Alessio Olivieri, Marco D'Abramo, Andrea Amadei
A Theoretical-Computational Study of Phosphodiester Bond Cleavage Kinetics as a Function of the Temperature. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Alessio Olivieri, Alessandro Nicola Nardi, Marco D'Abramo
Theoretical Insights into MutY Glycosylase DNA Repair Mechanism. Biochemistry 63 (15) (2024)
Lawanya Natarajan, Maria Laura De Sciscio, Alessandro Nicola Nardi, Ashok Sekhar, Alessandra Del Giudice, Marco D'Abramo, Athi N Naganathan
A finely balanced order-disorder equilibrium sculpts the folding-binding landscape of an antibiotic sequestering protein. Proceedings of the National Academy of Sciences of the United States of America 121 (20) (2024)
Alessandro Nicola Nardi, Alessio Olivieri, Marco D'Abramo, Riccardo Salvio
Unveiling the Cleavage Mechanism of an RNA Model Compound on the whole pH Scale: Computations Meet Experiments in the Determination of Reaction Rates. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Alessandro Nicola Nardi, Alessio Olivieri, Marco D'Abramo, Andrea Amadei
A Theoretical-Computational Study of Phosphodiester Bond Cleavage Kinetics as a Function of the Temperature. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (9) (2024)
Lawanya Natarajan, Maria Laura De Sciscio, Alessandro Nicola Nardi, Ashok Sekhar, Alessandra Del Giudice, Marco D'Abramo, Athi N Naganathan
A finely balanced order-disorder equilibrium sculpts the folding-binding landscape of an antibiotic sequestering protein. Proceedings of the National Academy of Sciences of the United States of America 121 (20) (2024)
Alessandro Nicola Nardi, Alessio Olivieri, Marco D'Abramo, Riccardo Salvio
Unveiling the Cleavage Mechanism of an RNA Model Compound on the whole pH Scale: Computations Meet Experiments in the Determination of Reaction Rates. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (12) (2024)
Alessandro Nicola Nardi, Alessio Olivieri, Marco D'Abramo, Riccardo Salvio
Unveiling the Cleavage Mechanism of an RNA Model Compound on the whole pH Scale: Computations Meet Experiments in the Determination of Reaction Rates. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (12) (2024)
Lawanya Natarajan, Maria Laura De Sciscio, Alessandro Nicola Nardi, Ashok Sekhar, Alessandra Del Giudice, Marco D'Abramo, Athi N Naganathan
A finely balanced order-disorder equilibrium sculpts the folding-binding landscape of an antibiotic sequestering protein. Proceedings of the National Academy of Sciences of the United States of America 121 (20) (2024)
Cheng Giuseppe Chen, Mauro Giustini, Marco D'Abramo, Andrea Amadei
Unveiling the Excited State Dynamics of Indole in Solution. Journal of chemical theory and computation (2023)
Maria Laura De Sciscio, Alessandro Nicola Nardi, Giacomo Parisi, Giovanni Bulfaro, Antonella Costanzo, Elena Gugole, Cécile Exertier, Ida Freda, Carmelinda Savino, Beatrice Vallone, Linda Celeste Montemiglio, Marco D'Abramo
Effect of Salts on the Conformational Dynamics of the Cytochrome P450 OleP. Molecules (Basel, Switzerland) 28 (2) (2023)
Maria Laura De Sciscio, Alessandro Nicola Nardi, Giacomo Parisi, Giovanni Bulfaro, Antonella Costanzo, Elena Gugole, Cécile Exertier, Ida Freda, Carmelinda Savino, Beatrice Vallone, Linda Celeste Montemiglio, Marco D'Abramo
Effect of Salts on the Conformational Dynamics of the Cytochrome P450 OleP. Molecules (Basel, Switzerland) 28 (2) (2023)
Maria Laura De Sciscio, Alessandro Nicola Nardi, Giacomo Parisi, Giovanni Bulfaro, Antonella Costanzo, Elena Gugole, Cécile Exertier, Ida Freda, Carmelinda Savino, Beatrice Vallone, Linda Celeste Montemiglio, Marco D'Abramo
Effect of Salts on the Conformational Dynamics of the Cytochrome P450 OleP. Molecules (Basel, Switzerland) 28 (2) (2023)
Maria Laura De Sciscio, Alessandro Nicola Nardi, Giacomo Parisi, Giovanni Bulfaro, Antonella Costanzo, Elena Gugole, Cécile Exertier, Ida Freda, Carmelinda Savino, Beatrice Vallone, Linda Celeste Montemiglio, Marco D'Abramo
Effect of Salts on the Conformational Dynamics of the Cytochrome P450 OleP. Molecules (Basel, Switzerland) 28 (2) (2023)
Maria Laura De Sciscio, Alessandro Nicola Nardi, Giacomo Parisi, Giovanni Bulfaro, Antonella Costanzo, Elena Gugole, Cécile Exertier, Ida Freda, Carmelinda Savino, Beatrice Vallone, Linda Celeste Montemiglio, Marco D'Abramo
Effect of Salts on the Conformational Dynamics of the Cytochrome P450 OleP. Molecules (Basel, Switzerland) 28 (2) (2023)
Alessandro Nicola Nardi, Alessio Olivieri, Andrea Amadei, Riccardo Salvio, Marco D'Abramo
Modelling Complex Bimolecular Reactions in a Condensed Phase: The Case of Phosphodiester Hydrolysis. Molecules (Basel, Switzerland) 28 (5) (2023)
Victor G Lui, Manfred Hoenig, Berenice Cabrera-Martinez, Ryan M Baxter, Josselyn E Garcia-Perez, Olivia Bailey, Atanu Acharya, Karl Lundquist, Jesusa Capera, Paul Matusewicz, Frederike A Hartl, Marco D'Abramo, Josephine Alba, Eva-Maria Jacobsen, Doris Niewolik, Myriam Lorenz, Ulrich Pannicke, Ansgar S Schulz, Klaus-Michael Debatin, Wolfgang W A Schamel, Susana Minguet, James C Gumbart, Michael L Dustin, John C Cambier, Klaus Schwarz, Elena W Y Hsieh
A partial human LCK defect causes a T cell immunodeficiency with intestinal inflammation. The Journal of experimental medicine 221 (1) (2023)
Alessandro Nicola Nardi, Alessio Olivieri, Andrea Amadei, Riccardo Salvio, Marco D'Abramo
Modelling Complex Bimolecular Reactions in a Condensed Phase: The Case of Phosphodiester Hydrolysis. Molecules (Basel, Switzerland) 28 (5) (2023)
Valentina Tedeschi, Giorgia Paldino, Josephine Alba, Emanuele Molteni, Fabiana Paladini, Rossana Scrivo, Mattia Congia, Alberto Cauli, Rosalba Caccavale, Marino Paroli, Manuela Di Franco, Loretta Tuosto, Rosa Sorrentino, Marco D'Abramo, Maria Teresa Fiorillo
ERAP1 and ERAP2 Haplotypes Influence Suboptimal HLA-B*27:05-Restricted Anti-Viral CD8+ T Cell Responses Cross-Reactive to Self-Epitopes. International journal of molecular sciences 24 (17) (2023)
Alessandro Nicola Nardi, Alessio Olivieri, Andrea Amadei, Riccardo Salvio, Marco D'Abramo
Modelling Complex Bimolecular Reactions in a Condensed Phase: The Case of Phosphodiester Hydrolysis. Molecules (Basel, Switzerland) 28 (5) (2023)
Maria Laura De Sciscio, Alessandro Nicola Nardi, Fabio Centola, Mara Rossi, Enrico Guarnera, Marco D'Abramo
Molecular Modeling of the Deamidation Reaction in Solution: A Theoretical-Computational Study. The journal of physical chemistry. B (2023)
Cheng Giuseppe Chen, Massimiliano Aschi, Marco D'Abramo, Andrea Amadei
A Simplified Treatment for Efficiently Modeling the Spectral Signal of Vibronic Transitions: Application to Aqueous Indole. Molecules (Basel, Switzerland) 27 (23) (2022)
Cheng Giuseppe Chen, Alessandro Nicola Nardi, Andrea Amadei, Marco D'Abramo
Theoretical Modeling of Redox Potentials of Biomolecules. Molecules (Basel, Switzerland) 27 (3) (2022)
Leonardo Bò, Edoardo Milanetti, Cheng Giuseppe Chen, Giancarlo Ruocco, Andrea Amadei, Marco D'Abramo
Computational Modeling of the Thermodynamics of the Mesophilic and Thermophilic Mutants of Trp-Cage Miniprotein. ACS omega 7 (16) (2022)
Cheng Giuseppe Chen, Massimiliano Aschi, Marco D'Abramo, Andrea Amadei
A Simplified Treatment for Efficiently Modeling the Spectral Signal of Vibronic Transitions: Application to Aqueous Indole. Molecules (Basel, Switzerland) 27 (23) (2022)
Valeria D'Annibale, Donatella Fracassi, Paolo Marracino, Guglielmo D'Inzeo, Marco D'Abramo
Effects of Environmental and Electric Perturbations on the pKa of Thioredoxin Cysteine 35: A Computational Study. Molecules (Basel, Switzerland) 27 (19) (2022)
Maria Laura De Sciscio, Valeria D'Annibale, Marco D'Abramo
Theoretical Evaluation of Sulfur-Based Reactions as a Model for Biological Antioxidant Defense. International journal of molecular sciences 23 (23) (2022)
Cheng Giuseppe Chen, Alessandro Nicola Nardi, Mauro Giustini, Marco D'Abramo
Absorption behavior of doxorubicin hydrochloride in visible region in different environments: a combined experimental and computational study. Physical chemistry chemical physics : PCCP 24 (19) (2022)
Maria Laura De Sciscio, Valeria D'Annibale, Marco D'Abramo
Theoretical Evaluation of Sulfur-Based Reactions as a Model for Biological Antioxidant Defense. International journal of molecular sciences 23 (23) (2022)
Cheng Giuseppe Chen, Massimiliano Aschi, Marco D'Abramo, Andrea Amadei
A Simplified Treatment for Efficiently Modeling the Spectral Signal of Vibronic Transitions: Application to Aqueous Indole. Molecules (Basel, Switzerland) 27 (23) (2022)
Natalie Solfrid Gjerde, Alessandro Nicola Nardi, Cheng Giuseppe Chen, Paolo Di Gianvincenzo, Marco D'Abramo, Anita Scipioni, Luciano Galantini, Sergio Enrique Moya, Mauro Giustini
Complexation and organization of doxorubicin on polystyrene sulfonate chains: impacts on doxorubicin dimerization and quenching. Physical chemistry chemical physics : PCCP 24 (42) (2022)
Nicole Balasco, Antonella Paladino, Giuseppe Graziano, Marco D'Abramo, Luigi Vitagliano
Atomic-Level View of the Functional Transition in Vertebrate Hemoglobins: The Case of Antarctic Fish Hbs. Journal of chemical information and modeling 62 (16) (2022)
Alessandro Nicola Nardi, Marco D'Abramo, Andrea Amadei
Modeling Charge Transfer Reactions by Hopping between Electronic Ground State Minima: Application to Hole Transfer between DNA Bases. Molecules (Basel, Switzerland) 27 (21) (2022)
Josephine Alba, Marco D'Abramo
The Full Model of the pMHC-TCR-CD3 Complex: A Structural and Dynamical Characterization of Bound and Unbound States. Cells 11 (4) (2022)
Cheng Giuseppe Chen, Massimiliano Aschi, Marco D'Abramo, Andrea Amadei
A Simplified Treatment for Efficiently Modeling the Spectral Signal of Vibronic Transitions: Application to Aqueous Indole. Molecules (Basel, Switzerland) 27 (23) (2022)
Maria Laura De Sciscio, Valeria D'Annibale, Marco D'Abramo
Theoretical Evaluation of Sulfur-Based Reactions as a Model for Biological Antioxidant Defense. International journal of molecular sciences 23 (23) (2022)
Cheng Giuseppe Chen, Alessandro Nicola Nardi, Andrea Amadei, Marco D'Abramo
PyMM: An Open-Source Python Program for QM/MM Simulations Based on the Perturbed Matrix Method. Journal of chemical theory and computation (2022)
Maria Laura De Sciscio, Valeria D'Annibale, Marco D'Abramo
Theoretical Evaluation of Sulfur-Based Reactions as a Model for Biological Antioxidant Defense. International journal of molecular sciences 23 (23) (2022)
Alessandro Nicola Nardi, Alessio Olivieri, Marco D'Abramo
Rationalizing Sequence and Conformational Effects on the Guanine Oxidation in Different DNA Conformations. The journal of physical chemistry. B 126 (27) (2022)
Nicole Balasco, Josephine Alba, Marco D'Abramo, Luigi Vitagliano
Quaternary Structure Transitions of Human Hemoglobin: An Atomic-Level View of the Functional Intermediate States. Journal of chemical information and modeling 61 (8) (2021)
Valeria D'Annibale, Alessandro Nicola Nardi, Andrea Amadei, Marco D'Abramo
Theoretical Characterization of the Reduction Potentials of Nucleic Acids in Solution. Journal of chemical theory and computation 17 (3) (2021)
Linda Celeste Montemiglio, Elena Gugole, Ida Freda, Cécile Exertier, Lucia D'Auria, Cheng Giuseppe Chen, Alessandro Nicola Nardi, Gabriele Cerutti, Giacomo Parisi, Marco D'Abramo, Carmelinda Savino, Beatrice Vallone
Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics. Biomolecules 12 (1) (2021)
Annamaria Sandomenico, Lorenzo Di Rienzo, Luisa Calvanese, Emanuela Iaccarino, Gabriella D'Auria, Lucia Falcigno, Angela Nebbioso, Rosita Russo, Guido Franzoso, Laura Tornatore, Marco D'Abramo, Menotti Ruvo, Edoardo Milanetti, Domenico Raimondo
Insights into the Interaction Mechanism of DTP3 with MKK7 by Using STD-NMR and Computational Approaches. Biomedicines 9 (1) (2020)
Josephine Alba, Lorenzo Di Rienzo, Edoardo Milanetti, Oreste Acuto, Marco D'Abramo
Molecular Dynamics Simulations Reveal Canonical Conformations in Different pMHC/TCR Interactions. Cells 9 (4) (2020)
Lorenzo Di Rienzo, Edoardo Milanetti, Josephine Alba, Marco D'Abramo
Quantitative Characterization of Binding Pockets and Binding Complementarity by Means of Zernike Descriptors. Journal of chemical information and modeling 60 (3) (2020)
Valentina Tedeschi, Josephine Alba, Fabiana Paladini, Marino Paroli, Alberto Cauli, Alessandro Mathieu, Rosa Sorrentino, Marco D'Abramo, Maria Teresa Fiorillo
Unusual Placement of an EBV Epitope into the Groove of the Ankylosing Spondylitis-Associated HLA-B27 Allele Allows CD8+ T Cell Activation. Cells 8 (6) (2019)
Sara Del Galdo, Josephine Alba, Andrea Amadei, Marco D'Abramo
Evolutionary Modes in Protein Observable Space: The Case of Thioredoxins. Journal of molecular evolution 87 (4-6) (2019)
Josephine Alba, Edoardo Milanetti, Marco D'Abramo
On the activation and deactivation pathways of the Lck kinase domain: a computational study. Journal of computer-aided molecular design 33 (6) (2019)
Elisamaria Tasca, Marco D'Abramo, Luciano Galantini, Anna Maria Giuliani, Nicolae Viorel Pavel, Gerardo Palazzo, Mauro Giustini
A Stereochemically Driven Supramolecular Polymerisation. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (32) (2018)
Jesús Prieto, Pilar Redondo, Blanca López-Méndez, Marco D'Abramo, Nekane Merino, Francisco J Blanco, Phillipe Duchateau, Guillermo Montoya, Rafael Molina
Understanding the indirect DNA read-out specificity of I-CreI Meganuclease. Scientific reports 8 (1) (2018)
Edoardo Milanetti, Alexandra G Trandafir, Josephine Alba, Domenico Raimondo, Marco D'Abramo
Efficient and Accurate Modeling of Conformational Transitions in Proteins: The Case of c-Src Kinase. The journal of physical chemistry. B 122 (38) (2018)
Josephine Alba, Maria Jose Marcaida, Jesus Prieto, Guillermo Montoya, Rafael Molina, Marco D'Abramo
Structure and dynamics of mesophilic variants from the homing endonuclease I-DmoI. Journal of computer-aided molecular design 31 (12) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Marco D'Abramo