Marco De Vivo

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 64

Top Topics

Gold Nanoparticles

Molecular Dynamics

Top Venues

Journal of medicinal chemistry

Journal of the American Chemical Society

Journal of chemical information and modeling

Nature communications

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

Publications

Nicoletta Brindani, Linh M Vuong, Maria Antonietta La Serra, Noel Salvador, Andrea Menichetti, Isabella Maria Acquistapace, Jose Antonio Ortega, Marina Veronesi, Sine Mandrup Bertozzi, Maria Summa, Stefania Girotto, Rosalia Bertorelli, Andrea Armirotti, Anand K Ganesan, Marco De Vivo
Discovery of CDC42 Inhibitors with a Favorable Pharmacokinetic Profile and Anticancer In Vivo Efficacy. Journal of medicinal chemistry 67 (12) (2024)
Nicoletta Brindani, Linh M Vuong, Maria Antonietta La Serra, Noel Salvador, Andrea Menichetti, Isabella Maria Acquistapace, Jose Antonio Ortega, Marina Veronesi, Sine Mandrup Bertozzi, Maria Summa, Stefania Girotto, Rosalia Bertorelli, Andrea Armirotti, Anand K Ganesan, Marco De Vivo
Discovery of CDC42 Inhibitors with a Favorable Pharmacokinetic Profile and Anticancer In Vivo Efficacy. Journal of medicinal chemistry 67 (12) (2024)
David Ricardo Figueroa Blanco, Pietro Vidossich, Marco De Vivo
Correct Nucleotide Selection Is Confined at the Binding Site of Polymerase Enzymes. Journal of chemical information and modeling (2024)
Nicoletta Brindani, Linh M Vuong, Maria Antonietta La Serra, Noel Salvador, Andrea Menichetti, Isabella Maria Acquistapace, Jose Antonio Ortega, Marina Veronesi, Sine Mandrup Bertozzi, Maria Summa, Stefania Girotto, Rosalia Bertorelli, Andrea Armirotti, Anand K Ganesan, Marco De Vivo
Discovery of CDC42 Inhibitors with a Favorable Pharmacokinetic Profile and Anticancer In Vivo Efficacy. Journal of medicinal chemistry (2024)
Ilaria Silvestri, Jacopo Manigrasso, Alessandro Andreani, Nicoletta Brindani, Caroline Mas, Jean-Baptiste Reiser, Pietro Vidossich, Gianfranco Martino, Andrew A McCarthy, Marco De Vivo, Marco Marcia
Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nature communications 15 (1) (2024)
Ilaria Silvestri, Jacopo Manigrasso, Alessandro Andreani, Nicoletta Brindani, Caroline Mas, Jean-Baptiste Reiser, Pietro Vidossich, Gianfranco Martino, Andrew A McCarthy, Marco De Vivo, Marco Marcia
Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nature communications 15 (1) (2024)
Stefano Muscat, Gianfranco Martino, Jacopo Manigrasso, Marco Marcia, Marco De Vivo
On the Power and Challenges of Atomistic Molecular Dynamics to Investigate RNA Molecules. Journal of chemical theory and computation (2024)
Ilaria Silvestri, Jacopo Manigrasso, Alessandro Andreani, Nicoletta Brindani, Caroline Mas, Jean-Baptiste Reiser, Pietro Vidossich, Gianfranco Martino, Andrew A McCarthy, Marco De Vivo, Marco Marcia
Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nature communications 15 (1) (2024)
David Ricardo Figueroa Blanco, Pietro Vidossich, Marco De Vivo
Correct Nucleotide Selection Is Confined at the Binding Site of Polymerase Enzymes. Journal of chemical information and modeling 64 (13) (2024)
Nicoletta Brindani, Linh M Vuong, Maria Antonietta La Serra, Noel Salvador, Andrea Menichetti, Isabella Maria Acquistapace, Jose Antonio Ortega, Marina Veronesi, Sine Mandrup Bertozzi, Maria Summa, Stefania Girotto, Rosalia Bertorelli, Andrea Armirotti, Anand K Ganesan, Marco De Vivo
Discovery of CDC42 Inhibitors with a Favorable Pharmacokinetic Profile and Anticancer In Vivo Efficacy. Journal of medicinal chemistry 67 (12) (2024)
Nicoletta Brindani, Linh M Vuong, Maria Antonietta La Serra, Noel Salvador, Andrea Menichetti, Isabella Maria Acquistapace, Jose Antonio Ortega, Marina Veronesi, Sine Mandrup Bertozzi, Maria Summa, Stefania Girotto, Rosalia Bertorelli, Andrea Armirotti, Anand K Ganesan, Marco De Vivo
Discovery of CDC42 Inhibitors with a Favorable Pharmacokinetic Profile and Anticancer In Vivo Efficacy. Journal of medicinal chemistry 67 (12) (2024)
Inacrist Geronimo, Pietro Vidossich, Marco De Vivo
On the Role of Molecular Conformation of the 8-Oxoguanine Lesion in Damaged DNA Processing by Polymerases. Journal of chemical information and modeling 63 (5) (2023)
Manuel José Ruiz Munevar, Valerio Rizzi, Corinne Portioli, Pietro Vidossich, Erhu Cao, Michele Parrinello, Laura Cancedda, Marco De Vivo
Cation Chloride Cotransporter NKCC1 Operates through a Rocking-Bundle Mechanism. Journal of the American Chemical Society 146 (1) (2023)
Marco De Vivo
JCTC: In Pursuit of Excellence. Journal of chemical theory and computation (2023)
Manuel José Ruiz Munevar, Valerio Rizzi, Corinne Portioli, Pietro Vidossich, Erhu Cao, Michele Parrinello, Laura Cancedda, Marco De Vivo
Cation Chloride Cotransporter NKCC1 Operates through a Rocking-Bundle Mechanism. Journal of the American Chemical Society 146 (1) (2023)
Manuel José Ruiz Munevar, Valerio Rizzi, Corinne Portioli, Pietro Vidossich, Erhu Cao, Michele Parrinello, Laura Cancedda, Marco De Vivo
Cation Chloride Cotransporter NKCC1 Operates through a Rocking-Bundle Mechanism. Journal of the American Chemical Society 146 (1) (2023)
Inacrist Geronimo, Pietro Vidossich, Marco De Vivo
On the Role of Molecular Conformation of the 8-Oxoguanine Lesion in Damaged DNA Processing by Polymerases. Journal of chemical information and modeling 63 (5) (2023)
Bharath Raghavan, Mirko Paulikat, Katya Ahmad, Lara Callea, Andrea Rizzi, Emiliano Ippoliti, Davide Mandelli, Laura Bonati, Marco De Vivo, Paolo Carloni
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations. Journal of chemical information and modeling (2023)
Inacrist Geronimo, Pietro Vidossich, Marco De Vivo
On the Role of Molecular Conformation of the 8-Oxoguanine Lesion in Damaged DNA Processing by Polymerases. Journal of chemical information and modeling (2023)
Manuel José Ruiz Munevar, Valerio Rizzi, Corinne Portioli, Pietro Vidossich, Erhu Cao, Michele Parrinello, Laura Cancedda, Marco De Vivo
Cation Chloride Cotransporter NKCC1 Operates through a Rocking-Bundle Mechanism. Journal of the American Chemical Society (2023)
Manuel José Ruiz Munevar, Valerio Rizzi, Corinne Portioli, Pietro Vidossich, Erhu Cao, Michele Parrinello, Laura Cancedda, Marco De Vivo
Cation Chloride Cotransporter NKCC1 Operates through a Rocking-Bundle Mechanism. Journal of the American Chemical Society 146 (1) (2023)
Sebastian Franco-Ulloa, Laura Riccardi, Federico Rimembrana, Edwin Grottin, Mattia Pini, Marco De Vivo
NanoModeler CG: A Tool for Modeling and Engineering Functional Nanoparticles at a Coarse-Grained Resolution. Journal of chemical theory and computation 19 (5) (2023)
Annalisa Savardi, Andrea Patricelli Malizia, Marco De Vivo, Laura Cancedda, Marco Borgogno
Preclinical Development of the Na-K-2Cl Co-transporter-1 (NKCC1) Inhibitor ARN23746 for the Treatment of Neurodevelopmental Disorders. ACS pharmacology & translational science 6 (1) (2023)
Inacrist Geronimo, Pietro Vidossich, Marco De Vivo
On the Role of Molecular Conformation of the 8-Oxoguanine Lesion in Damaged DNA Processing by Polymerases. Journal of chemical information and modeling 63 (5) (2023)
Nicoletta Brindani, Linh M Vuong, Isabella Maria Acquistapace, Maria Antonietta La Serra, José Antonio Ortega, Marina Veronesi, Sine Mandrup Bertozzi, Maria Summa, Stefania Girotto, Rosalia Bertorelli, Andrea Armirotti, Anand K Ganesan, Marco De Vivo
Design, Synthesis, In Vitro and In Vivo Characterization of CDC42 GTPase Interaction Inhibitors for the Treatment of Cancer. Journal of medicinal chemistry (2023)
Manuel José Ruiz Munevar, Valerio Rizzi, Corinne Portioli, Pietro Vidossich, Erhu Cao, Michele Parrinello, Laura Cancedda, Marco De Vivo
Cation Chloride Cotransporter NKCC1 Operates through a Rocking-Bundle Mechanism. Journal of the American Chemical Society 146 (1) (2023)
Sebastian Franco-Ulloa, Laura Riccardi, Federico Rimembrana, Edwin Grottin, Mattia Pini, Marco De Vivo
NanoModeler CG: A Tool for Modeling and Engineering Functional Nanoparticles at a Coarse-Grained Resolution. Journal of chemical theory and computation 19 (5) (2023)
Sebastian Franco-Ulloa, Laura Riccardi, Federico Rimembrana, Edwin Grottin, Mattia Pini, Marco De Vivo
NanoModeler CG: A Tool for Modeling and Engineering Functional Nanoparticles at a Coarse-Grained Resolution. Journal of chemical theory and computation 19 (5) (2023)
Manuel José Ruiz Munevar, Valerio Rizzi, Corinne Portioli, Pietro Vidossich, Erhu Cao, Michele Parrinello, Laura Cancedda, Marco De Vivo
Cation Chloride Cotransporter NKCC1 Operates through a Rocking-Bundle Mechanism. Journal of the American Chemical Society 146 (1) (2023)
Sebastian Franco-Ulloa, Andrea Cesari, Laura Riccardi, Federico De Biasi, Daniele Rosa-Gastaldo, Fabrizio Mancin, Marco De Vivo, Federico Rastrelli
Molecular Mechanisms Underlying Detection Sensitivity in Nanoparticle-Assisted NMR Chemosensing. The journal of physical chemistry letters (2023)
Manuel José Ruiz Munevar, Valerio Rizzi, Corinne Portioli, Pietro Vidossich, Erhu Cao, Michele Parrinello, Laura Cancedda, Marco De Vivo
Cation Chloride Cotransporter NKCC1 Operates through a Rocking-Bundle Mechanism. Journal of the American Chemical Society 146 (1) (2023)
Annalisa Savardi, Andrea Patricelli Malizia, Marco De Vivo, Laura Cancedda, Marco Borgogno
Preclinical Development of the Na-K-2Cl Co-transporter-1 (NKCC1) Inhibitor ARN23746 for the Treatment of Neurodevelopmental Disorders. ACS pharmacology & translational science 6 (1) (2023)
Sebastian Franco-Ulloa, Laura Riccardi, Federico Rimembrana, Edwin Grottin, Mattia Pini, Marco De Vivo
NanoModeler CG: A Tool for Modeling and Engineering Functional Nanoparticles at a Coarse-Grained Resolution. Journal of chemical theory and computation (2023)
Yongxiang Zhao, Kasturi Roy, Pietro Vidossich, Laura Cancedda, Marco De Vivo, Biff Forbush, Erhu Cao
Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide. Nature communications 13 (1) (2022)
Arianna Colini Baldeschi, Marco Zattoni, Silvia Vanni, Lea Nikolic, Chiara Ferracin, Giuseppina La Sala, Maria Summa, Rosalia Bertorelli, Sine Mandrup Bertozzi, Gabriele Giachin, Paolo Carloni, Maria Laura Bolognesi, Marco De Vivo, Giuseppe Legname
Innovative Non-PrP-Targeted Drug Strategy Designed to Enhance Prion Clearance. Journal of medicinal chemistry 65 (13) (2022)
Maria Antonietta La Serra, Pietro Vidossich, Isabella Acquistapace, Anand K Ganesan, Marco De Vivo
Alchemical Free Energy Calculations to Investigate Protein-Protein Interactions: the Case of the CDC42/PAK1 Complex. Journal of chemical information and modeling 62 (12) (2022)
Yongxiang Zhao, Jiemin Shen, Qinzhe Wang, Manuel Jose Ruiz Munevar, Pietro Vidossich, Marco De Vivo, Ming Zhou, Erhu Cao
Structure of the human cation-chloride cotransport KCC1 in an outward-open state. Proceedings of the National Academy of Sciences of the United States of America 119 (27) (2022)
Jacopo Manigrasso, Isabel Chillón, Vito Genna, Pietro Vidossich, Srinivas Somarowthu, Anna Marie Pyle, Marco De Vivo, Marco Marcia
Author Correction: Visualizing group II intron dynamics between the first and second steps of splicing. Nature communications 13 (1) (2022)
Marco Borgogno, Annalisa Savardi, Jacopo Manigrasso, Alessandra Turci, Corinne Portioli, Giuliana Ottonello, Sine Mandrup Bertozzi, Andrea Armirotti, Andrea Contestabile, Laura Cancedda, Marco De Vivo
Design, Synthesis, In Vitro and In Vivo Characterization of Selective NKCC1 Inhibitors for the Treatment of Core Symptoms in Down Syndrome. Journal of medicinal chemistry 64 (14) (2021)
Laura Riccardi, Sergio Decherchi, Walter Rocchia, Giordano Zanoni, Andrea Cavalli, Fabrizio Mancin, Marco De Vivo
Molecular Recognition by Gold Nanoparticle-Based Receptors as Defined through Surface Morphology and Pockets Fingerprint. The journal of physical chemistry letters 12 (23) (2021)
Lucía Morillas-Becerril, Sebastian Franco-Ulloa, Ilaria Fortunati, Roberto Marotta, Xiaohuan Sun, Giordano Zanoni, Marco De Vivo, Fabrizio Mancin
Specific and nondisruptive interaction of guanidium-functionalized gold nanoparticles with neutral phospholipid bilayers. Communications chemistry 4 (1) (2021)
Adam Pecina, Daniele Rosa-Gastaldo, Laura Riccardi, Sebastian Franco-Ulloa, Emil Milan, Paolo Scrimin, Fabrizio Mancin, Marco De Vivo
On the Metal-Aided Catalytic Mechanism for Phosphodiester Bond Cleavage Performed by Nanozymes. ACS catalysis 11 (14) (2021)
Sebastian Franco-Ulloa, Daniela Guarnieri, Laura Riccardi, Pier Paolo Pompa, Marco De Vivo
Association Mechanism of Peptide-Coated Metal Nanoparticles with Model Membranes: A Coarse-Grained Study. Journal of chemical theory and computation 17 (7) (2021)
Marco Marcia, Jacopo Manigrasso, Marco De Vivo
Finding the Ion in the RNA-Stack: Can Computational Models Accurately Predict Key Functional Elements in Large Macromolecular Complexes? Journal of chemical information and modeling 61 (6) (2021)
Lucía Morillas-Becerril, Sebastian Franco-Ulloa, Ilaria Fortunati, Roberto Marotta, Xiaohuan Sun, Giordano Zanoni, Marco De Vivo, Fabrizio Mancin
Specific and nondisruptive interaction of guanidium-functionalized gold nanoparticles with neutral phospholipid bilayers. Communications chemistry 4 (1) (2021)
Jacopo Manigrasso, Isabel Chillón, Vito Genna, Pietro Vidossich, Srinivas Somarowthu, Anna Marie Pyle, Marco De Vivo, Marco Marcia
Visualizing group II intron dynamics between the first and second steps of splicing. Nature communications 11 (1) (2020)
Joanna Czescik, Susanna Zamolo, Tamis Darbre, Riccardo Rigo, Claudia Sissi, Adam Pecina, Laura Riccardi, Marco De Vivo, Fabrizio Mancin, Paolo Scrimin
A Gold Nanoparticle Nanonuclease Relying on a Zn(II) Mononuclear Complex. Angewandte Chemie (International ed. in English) 60 (3) (2020)
Sebastian Franco-Ulloa, Giuseppina Tatulli, Sigbjørn Løland Bore, Mauro Moglianetti, Pier Paolo Pompa, Michele Cascella, Marco De Vivo
Dispersion state phase diagram of citrate-coated metallic nanoparticles in saline solutions. Nature communications 11 (1) (2020)
Jose Antonio Ortega, Jose M Arencibia, Elirosa Minniti, Jo Ann W Byl, Sebastian Franco-Ulloa, Marco Borgogno, Vito Genna, Maria Summa, Sine Mandrup Bertozzi, Rosalia Bertorelli, Andrea Armirotti, Anna Minarini, Claudia Sissi, Neil Osheroff, Marco De Vivo
Novel, Potent, and Druglike Tetrahydroquinazoline Inhibitor That Is Highly Selective for Human Topoisomerase II α over β. Journal of medicinal chemistry 63 (21) (2020)
Daniel P Duarte, Allan J Lamontanara, Giuseppina La Sala, Sukyo Jeong, Yoo-Kyoung Sohn, Alejandro Panjkovich, Sandrine Georgeon, Tim Kükenshöner, Maria Jose Marcaida, Florence Pojer, Marco De Vivo, Dmitri I Svergun, Hak-Sung Kim, Matteo Dal Peraro, Oliver Hantschel
Btk SH2-kinase interface is critical for allosteric kinase activation and its targeting inhibits B-cell neoplasms. Nature communications 11 (1) (2020)
Elisa Donati, Vito Genna, Marco De Vivo
Recruiting Mechanism and Functional Role of a Third Metal Ion in the Enzymatic Activity of 5' Structure-Specific Nucleases. Journal of the American Chemical Society 142 (6) (2020)
Sebastian Franco-Ulloa, Laura Riccardi, Federico Rimembrana, Mattia Pini, Marco De Vivo
NanoModeler: A Webserver for Molecular Simulations and Engineering of Nanoparticles. Journal of chemical theory and computation 15 (3) (2019)
Michael K Hjortness, Laura Riccardi, Akarawin Hongdusit, Alex Ruppe, Mengxia Zhao, Edward Y Kim, Peter H Zwart, Banumathi Sankaran, Haribabu Arthanari, Marcelo C Sousa, Marco De Vivo, Jerome M Fox
Correction to "Abietane-Type Diterpenoids Inhibit Protein Tyrosine Phosphatases by Stabilizing an Inactive Enzyme Conformation". Biochemistry 58 (24) (2019)
Stefano Vanni, Laura Riccardi, Giulia Palermo, Marco De Vivo
Structure and Dynamics of the Acyl Chains in the Membrane Trafficking and Enzymatic Processing of Lipids. Accounts of chemical research 52 (11) (2019)
Laura Riccardi, Federico De Biasi, Marco De Vivo, Thomas Buergi, Federico Rastrelli, Giovanni Salassa
Dynamic Origin of Chirality Transfer between Chiral Surface and Achiral Ligand in Au38 Clusters. ACS nano 13 (6) (2019)
Vito Genna, Marco Marcia, Marco De Vivo
A Transient and Flexible Cation-π Interaction Promotes Hydrolysis of Nucleic Acids in DNA and RNA Nucleases. Journal of the American Chemical Society 141 (27) (2019)
Jissy A Kuriappan, Neil Osheroff, Marco De Vivo
Smoothed Potential MD Simulations for Dissociation Kinetics of Etoposide To Unravel Isoform Specificity in Targeting Human Topoisomerase II. Journal of chemical information and modeling 59 (9) (2019)
Xiaohuan Sun, Laura Riccardi, Federico De Biasi, Federico Rastrelli, Marco De Vivo, Fabrizio Mancin
Molecular-Dynamics-Simulation-Directed Rational Design of Nanoreceptors with Targeted Affinity. Angewandte Chemie (International ed. in English) 58 (23) (2019)
Sebastian Franco-Ulloa, Giuseppina La Sala, Gian Pietro Miscione, Marco De Vivo
Novel Bacterial Topoisomerase Inhibitors Exploit Asp83 and the Intrinsic Flexibility of the DNA Gyrase Binding Site. International journal of molecular sciences 19 (2) (2018)
Michael K Hjortness, Laura Riccardi, Akarawin Hongdusit, Peter H Zwart, Banumathi Sankaran, Marco De Vivo, Jerome M Fox
Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases. Biochemistry 57 (45) (2018)
Michael K Hjortness, Laura Riccardi, Akarawin Hongdusit, Alex Ruppe, Mengxia Zhao, Edward Y Kim, Peter H Zwart, Banumathi Sankaran, Haribabu Arthanari, Marcelo C Sousa, Marco De Vivo, Jerome M Fox
Abietane-Type Diterpenoids Inhibit Protein Tyrosine Phosphatases by Stabilizing an Inactive Enzyme Conformation. Biochemistry 57 (40) (2018)
Vito Genna, Paolo Carloni, Marco De Vivo
A Strategically Located Arg/Lys Residue Promotes Correct Base Paring During Nucleic Acid Biosynthesis in Polymerases. Journal of the American Chemical Society 140 (9) (2018)
Jose Antonio Ortega, Laura Riccardi, Elirosa Minniti, Marco Borgogno, Jose M Arencibia, Maria L Greco, Anna Minarini, Claudia Sissi, Marco De Vivo
Pharmacophore Hybridization To Discover Novel Topoisomerase II Poisons with Promising Antiproliferative Activity. Journal of medicinal chemistry 61 (3) (2017)
Jose Antonio Ortega, Jose M Arencibia, Giuseppina La Sala, Marco Borgogno, Inga Bauer, Luca Bono, Clarissa Braccia, Andrea Armirotti, Stefania Girotto, Anand Ganesan, Marco De Vivo
Pharmacophore Identification and Scaffold Exploration to Discover Novel, Potent, and Chemically Stable Inhibitors of Acid Ceramidase in Melanoma Cells. Journal of medicinal chemistry 60 (13) (2017)