2021

Control of the eIF4E activity: structural insights and pharmacological implications.  CELLULAR AND MOLECULAR LIFE SCIENCES, 2021. Romagnoli A, D’Agostino M, Ardiccioni C, Maracci C, Motta S, La Teana A,  Di Marino D.
https://pubmed.ncbi.nlm.nih.gov/34541613/

Targeting mTOR and eIF4E: a feasible scenario in ovarian cancer therapy. CANCER DRUG RESISTANCE. A. Romagnoli, C. Maracci, M. D’Agostino, A. La Teana, D. Di Marino
https://cdrjournal.com/article/view/4033

Population Dynamics and Structural Effects at Short and Long Range Support the Hypothesis of the Selective Advantage of the G614 SARS-CoV-2 Spike Variant. MOLECULAR BIOLOGY AND EVOLUTION, 2021. Trucchi E, Gratton P, Mafessoni F, Motta S, Cicconardi F, Mancia F, Bertorelle G, D’Annessa I, Di Marino D  
https://pubmed.ncbi.nlm.nih.gov/33386849/

2020

Insights Into the Binding Mechanism of GC7 to Deoxyhypusine Synthase in Sulfolobus solfataricus: A Thermophilic Model for the Design of New Hypusination Inhibitors. FRONTIERS IN CHEMISTRY, 2020. D’Agostino,Mattia; Motta, Stefano; Romagnoli, Alice; Orlando, Patrick; Tiano, Luca; La Teana, Anna;  Di Marino Daniele.  https://pubmed.ncbi.nlm.nih.gov/33392152/

OXER1 and RACK1-associated pathway: a promising drug target for breast cancer progression. ONCOGENESIS, 2020. Masi M, Garattini E, Bolis M,  Di Marino D , Maraccani L, Morelli E, Grolla AA, Fagiani F, Corsini E, Travelli C, Govoni S, Racchi M, Buoso E.  https://pubmed.ncbi.nlm.nih.gov/33311444/

Cyclase-associated protein 2 dimerization regulates cofilin in synaptic plasticity and Alzheimer’s disease. BRAIN COMMUNICATIONS, 2020. Pelucchi, Silvia; Vandermeulen, Lina; Pizzamiglio, Lara; Aksan, Bahar; Yan, Jing; Konietzny, Anja; Bonomi, Elisa; Borroni, Barbara; Padovani, Alessandro; Rust, Marco B;  Di Marino, Daniele; Mikhaylova, Marina; Mauceri, Daniela; Antonucci, Flavia; Edefonti, Valeria; Gardoni, Fabrizio; Di Luca, Monica; Marcello, Elena.  https://academic.oup.com/braincomms/article/2/2/fcaa086/5863245

Targeting Cytokine Release Through the Differential Modulation of Nrf2 and NF-κB Pathways by Electrophilic/Non-Electrophilic Compounds. FRONTIERS IN PHARMACOLOGY, 2020.  Fagiani F, Catanzaro M, Buoso E, Basagni F, Di Marino D, Raniolo S, Amadio M, Frost EH, Corsini E, Racchi M, Fulop T, Govoni S, Rosini M, Lanni C.
https://pubmed.ncbi.nlm.nih.gov/32922294/

Episignatures Stratifying Helsmoortel-Van Der Aa Syndrome Show Modest Correlation with Phenotype. THE AMERICAN JOURNAL OF HUMAN GENETICS: CELL PRESS, 2020. Breen MS, Garg P, Tang L, Mendonca D, Levy T, Barbosa M, Arnett AB, Kurtz-Nelson E, Agolini E, Battaglia A, Chiocchetti AG, Freitag CM, Garcia-Alcon A, Grammatico P, Hertz-Picciotto I, Ludena-Rodriguez Y, Moreno C, Novelli A, Parellada M, Pascolini G, Tassone F, Grice DE,  Di Marino D , Bernier RA, Kolevzon A, Sharp AJ, Buxbaum JD, Siper PM, De Rubeis S.
https://pubmed.ncbi.nlm.nih.gov/32758449/

Binding of the Anti-FIV Peptide C8 to Differently Charged Membrane Models: From First Docking to Membrane Tubulation .  FRONTIERS IN CHEMISTRY, 2020. Di Marino D, Bruno A, Grimaldi M, Scrima M, Stillitano I, Amodio G, Della Sala G, Romagnoli A, De Santis A, Moltedo O, Remondelli P, Boccia G, D’Errico G, D’Ursi AM, Limongelli V.
https://pubmed.ncbi.nlm.nih.gov/32676493/

Bioinformatics and Biosimulations as Toolbox for Peptides and Peptidomimetics Design: Where Are We? FRONTIERS IN MOLECULAR BIOSCIENCES, 2020. D’Annessa I, Di Leva FS, La Teana A, Novellino E, Limongelli V,  Di Marino D.
https://pubmed.ncbi.nlm.nih.gov/32432124/

Defective Sec61α1 underlines a novel cause of autosomal dominant severe congenital neutropenia. JOURNAL OF ALLERGY AND CLINICAL IMMUNOLOGY, 2020. Van Nieuwenhove E, Barber JS, Neumann J, Smeets E, Williemsen M, Pasciuto E, Prezzemolo T, Lagou V, Seldeslachts L, Malengier-Devlies B, Met zemaekers M, Haßdenteufel S, Kerstens A, van der Kant R, Rousseau F, Schymkowitz J,  Di Marino D , Lang S, Zimmermann R, Schlenner S, Munck S, Proost P, Matthys P, Devalck C, Boeckx N, Claessens F, Wouters C, Humblet-Baron S, Meyts I, Liston A https://pubmed.ncbi.nlm.nih.gov/32325141/

Genomic Signature of Shifts in Selection in a Subalpine Ant and Its Physiological Adaptations. MOLECULAR BIOLOGY AND EVOLUTION, 2020. Cicconardi, Francesco; Krapf, Patrick; D’Annessa, Ilda; Gamisch, Alexander; Wagner, Herbert C; Nguyen, Andrew D; Economo, Evan P; Mikheyev, Alexander S; Guénard, Benoit; Grabherr, Reingard; Andesner, Philipp; Wolfgang, Arthofer; Di Marino, Daniele; Steiner, Florian M; Schlick-Steiner, Birgit C.  https://pubmed.ncbi.nlm.nih.gov/32181804/

A Nicotinamide Phosphoribosyltransferase-GAPDH Interaction Sustains the Stress-induced NMN/NAD + Salvage Pathway in he Nucleus. JOURNAL OF BIOLOGICAL CHEMISTRY, 2020. Grolla, Ambra A; Miggiano, Riccardo; Di Marino, Daniele; Bianchi, Michele; Gori, Alessandro; Orsomando, Giuseppe; Gaudino, Federica; Galli, Ubaldina; Del Grosso, Erika; Mazzola, Francesca; Angeletti, Carlo; Guarneri, Martina; Torretta, Simone; Calabrò, Marta; Boumya, Sara; Fan, Xiaorui; Colombo, Giorgia; Travelli, Cristina; Rocchio, Francesca; Aronica, Eleonora; Wohlschlegel, James A; Deaglio, Silvia; Rizzi, Menico; Genazzani, Armando A; Garavaglia, Silvia.  https://pubmed.ncbi.nlm.nih.gov/31988240/

2019

Structural insight into the binding mode of FXR and GPBAR1 modulators. HANDBOOK EXP. PHARMACOLOGY, 2019. Di Leva, Francesco Saverio; Di Marino, Daniele; Limongelli, Vittorio.  https://pubmed.ncbi.nlm.nih.gov/31161298/

DDT-Drug Discovery Tool: a fast and intuitive graphics user interface for docking and molecular dynamics analysis. BIOINFORMATICS, 2019. Aureli, Simone;  Di Marino, Daniele; Raniolo, Stefano; Limongelli Vittorio.  https://pubmed.ncbi.nlm.nih.gov/31304963/

Ligand Binding, Unbinding, and Allosteric Effects: Deciphering Small-Molecule Modulation of HSP90. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019. D’Annessa, Ilda; Raniolo, Stefano; Limongelli, Vittorio; Di Marino, Daniele; Colombo, Giorgio.  https://pubmed.ncbi.nlm.nih.gov/31538783/

Insights into protein sequencing with an α-Hemolysin nanopore by atomistic simulations. SCIENTIFIC REPORTS, 2019. Di Muccio, Giovanni; Rossini, Aldo Eugenio;  Di Marino, Daniele*; Zollo, Giuseppe; Chinappi, Mauro*.  https://www.ncbi.nlm.nih.gov/pubmed/31015503

Discovery of ((1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl)ureidyl derivatives as selective non-steroidal agonists of the G-protein coupled bile acid receptor-1.  SCIENTIFIC REPORTS, 2019. Di Leva, Francesco Saverio; Festa, Carmen; Carino, Adriana; De Marino, Simona; Marchianò, Silvia;  Di Marino, Daniele; Finamore, Claudia; Monti, Maria Chiara; Zampella, Angela; Fiorucci, Stefano; Limongelli, Vittorio.  https://www.ncbi.nlm.nih.gov/pubmed/30792450

Handling FMRP and its molecular partners: Structural insights into Fragile X Syndrome. PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY, 2019. D’Annessa, Ilda; Cicconardi, Francesco;  Di Marino, Daniele.  https://www.ncbi.nlm.nih.gov/pubmed/30905341*Cover issue

Deletion of the KH1 Domain of Fmr1 Leads to Transcriptional Alterations and Attentional Deficits in Rats. CEREBRAL CORTEX, 2029. Golden, Carla E M; Breen, Michael S; Koro, Lacin; Sonar, Sankalp; Niblo, Kristi; Browne, Andrew; Burlant, Natalie;  Di Marino, Daniele; De Rubeis, Silvia; Baxter, Mark G; Buxbaum, Joseph D; Harony-Nicolas, Hala.  https://www.ncbi.nlm.nih.gov/pubmed/30877790

2018

A Novel Mecp2 Y120D Knock-in Model Displays Similar Behavioral Traits But Distinct Molecular Features Compared to the Mecp2-Null Mouse Implying Precision Medicine for the Treatment of Rett Syndrome.  MOLECULAR NEUROBIOLOGY, 2018. Gandaglia, Anna; Brivio, Elena; Carli, Sara; Palmieri, Michela; Bedogni, Francesco; Stefanelli, Gilda; Bergo, Anna; Leva, Barbara; Cattaneo, Chiara; Pizzamiglio, Lara; Cicerone, Marco; Bianchi, Veronica; Kilstrup-Nielsen, Charlotte; D’Annessa, Ilda;  Di Marino, Daniele; D’Adamo, Patrizia; Antonucci, Flavia; Frasca, Angelisa; Landsberger, Nicoletta.  https://www.ncbi.nlm.nih.gov/pubmed/30402709

Tyr120Asp mutation alters domain flexibility and dynamics of MeCP2 DNA binding domain leading to impaired DNA interaction: Atomistic characterization of a Rett syndrome causing mutation.  BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2018. D’Annessa, Ilda; Gandaglia, Anna; Brivio, Elena; Stefanelli, Gilda; Frasca, Angelisa; Landsberger, Nicoletta;  Di Marino, Daniele.  https://www.ncbi.nlm.nih.gov/pubmed/29428602

2017

Prospective investigation of FOXP1 syndrome. MOLECULAR AUTISM, 2017. Siper, Paige M.; De Rubeis, Silvia; Trelles, Maria Del Pilar; Durkin, Allison;  Di Marino, Daniele; Muratet, François; Frank, Yitzchak; Lozano, Reymundo; Eichler, Evan E.; Kelly, Morgan; Beighley, Jennifer; Gerdts, Jennifer; Wallace, Arianne S.; Mefford, Heather C.; Bernier, Raphael A.; Kolevzon, Alexander; Buxbaum, Joseph D.  https://www.ncbi.nlm.nih.gov/pubmed/29090079

Evidence of Presynaptic Localization and Function of the c-Jun N-Terminal Kinase. NEURAL PLASTICITY, 2017. Biggi, Silvia; Buccarello, Lucia; Sclip, Alessandra; Lippiello, Pellegrino; Tonna, Noemi; Rumio, Cristiano;  Di Marino, Daniele; Miniaci, Maria Concetta; Borsello, Tiziana.  https://www.ncbi.nlm.nih.gov/pubmed/28367336

Chemosensory adaptations of the mountain fly Drosophila nigrosparsa (Insecta: Diptera) through genomics’ and structural biology’s lenses.  SCIENTIFIC REPORTS, 2017. Cicconardi, Francesco;  Di Marino, Daniele; Olimpieri, Pier Paolo; Arthofer, Wolfgang; Schlick-Steiner, Birgit C.; Steiner, Florian M.  https://www.ncbi.nlm.nih.gov/pubmed/28256589

2016

Brain phosphorylation of MeCP2 at serine 164 is developmentally regulated and globally alters its chromatin association.  SCIENTIFIC REPORTS, 2016. Stefanelli, Gilda; Gandaglia, Anna; Costa, Mario; Cheema, Manjinder;  Di Marino, Daniele; Barbiero, Isabella; Kilstrup-Nielsen, Charlotte; Ausió, Juan; Landsberger, Nicoletta.  https://www.ncbi.nlm.nih.gov/pubmed/27323888

Genetic predisposition for beta cell fragility underlies type 1 and type 2 diabetes. NATURE GENETICS, 2016. Dooley, James; Tian, Lei; Schonefeldt, Susann; Delghingaro-Augusto, Viviane; Garcia-Perez, Josselyn E.; Pasciuto, Emanuela;  Di Marino, Daniele; Carr, Edward J.; Oskolkov, Nikolay; Lyssenko, Valeriya; Franckaert, Dean; Lagou, Vasiliki; Overbergh, Lut; Vandenbussche, Jonathan; Allemeersch, Joke; Chabot-Roy, Genevieve; Dahlstrom, Jane E.; Laybutt, D. Ross; Petrovsky, Nikolai; Socha, Luis; Gevaert, Kris; Jetten, Anton M.; Lambrechts, Diether; Linterman, Michelle A.; Goodnow, Chris C.; Nolan, Christopher J.; Lesage, Sylvie; Schlenner, Susan M.; Liston, Adrian.  https://www.ncbi.nlm.nih.gov/pubmed/26998692

2015

Exploring the role of MKK7 in excitotoxicity and cerebral ischemia: A novel pharmacological strategy against brain injury.  CELL DEATH & DISEASE, 2015. Vercelli, Alessandr; Biggi, Silvia; Sclip, Alessandra; Repetto, I. E.; Cimini, S.; Falleroni, F.; Tomasi, S.; Monti, R.; Tonna, N.; Morelli, F.; Grande, V.; Stravalaci, M.; Biasini, Emiliano; Marin, O.; Bianco, Fabio;  Di Marino, Daniele; Borsello, Tiziana.  https://www.ncbi.nlm.nih.gov/pubmed/26270349

MD and Docking Studies Reveal That the Functional Switch of CYFIP1 is Mediated by a Butterfly-like Motion. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015.  Di Marino, Daniele; Chillemi, Giovanni; De Rubeis, Silvia; Tramontano, Anna; Achsel, Tilmann; Bagni, Claudia.  https://www.ncbi.nlm.nih.gov/pubmed/26575774

All-Atom Molecular Dynamics Simulation of Protein Translocation through an α-Hemolysin Nanopore. THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2015.  Di Marino, Daniele; Bonome, Emma Letizia; Tramontano, Anna; Chinappi, Mauro.  https://www.ncbi.nlm.nih.gov/pubmed/26267189

A unique binding mode of the eukaryotic translation initiation factor 4E for guiding the design of novel peptide inhibitors.  PROTEIN SCIENCE, 2015.  Di Marino, Daniele*; D’Annessa, Ilda; Tancredi, Holly; Bagni, Claudia; Gallicchio, Emilio*.  https://www.ncbi.nlm.nih.gov/pubmed/26013047

Characterization of the differences in the cyclopiazonic acid binding mode to mammalian and P. Falciparum Ca2+ pumps: A computational study.  PROTEINS, 2015.  Di Marino, Daniele; D’Annessa, Ilda; Coletta, Andrea; Via, Allegra; Tramontano, Anna.  https://www.ncbi.nlm.nih.gov/pubmed/25581715

2014

SAP97-mediated ADAM10 trafficking from Golgi outposts depends on PKC phosphorylation. CELL DEATH & DISEASE, 2014. Saraceno, Claudia; Marcello, Elena;  Di Marino, Daniele; Borroni, Barbara; Claeysen, S.; Perroy, J.; Padovani, Alessandro; Tramontano, Anna; Gardoni, Fabrizio; Di Luca, Monica.  https://www.ncbi.nlm.nih.gov/pubmed/25429624

The crystal structure of Giardia duodenalis 14-3-3 in the apo form: When protein post-translational modifications make the difference. PLOS ONE, 2014. Fiorillo, Annarita;  Di Marino, Daniele; Bertuccini, Lucia; Via, Allegra; Pozio, Edoardo; Camerini, Serena; Ilari, Andrea; Lalle, Marco.  https://www.ncbi.nlm.nih.gov/pubmed/24658679

Molecular dynamics simulations show how the FMRP Ile304Asn mutation destabilizes the KH2 domain structure and affects its function JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2014.  Di Marino, Daniele; Achsel, Tilmann; Lacoux, Caroline; Falconi, Mattia; Bagni, Claudia.  https://www.ncbi.nlm.nih.gov/pubmed/23527791

2013

CYFIP1 coordinates mRNA translation and cytoskeleton remodeling to ensure proper dendritic Spine formation. NEURON, 2013. De Rubeis, Silvia; Pasciuto, Emanuela; Li, Kawan; Fernández, Esperanza;  Di Marino, Daniele; Buzzi, Andrea; Ostroff, Linnaeae.; Klann, Eric; Zwartkruis, Fried J. T.; Komiyama, Noboruh.; Grant, Seth G. N.; Poujol, Christel; Choquet, Daniel; Achsel, Tilmann; Posthuma, Danielle; Smit, Augustb.; Bagni, Claudia.  https://www.ncbi.nlm.nih.gov/pubmed/24050404

Endocytosis of synaptic ADAM10 in neuronal plasticity and Alzheimer’s disease. THE JOURNAL OF CLINICAL INVESTIGATION, 2013. Marcello, Elena; Saraceno, Claudia; Musardo, Stefano; Vara, Hugo; De La Fuente, Alerie Guzman; Pelucchi, Silvia;  Di Marino, Daniele; Borroni, Barbara; Tramontano, Anna; Pérez-Otaño, Isabel; Padovani, Alessandro; Giustetto, Maurizio; Gardoni, Fabrizio; Di Luca, Monica.  https://www.ncbi.nlm.nih.gov/pubmed/23676497

2012

BC1-FMRP interaction is modulated by 2′-O-methylation: RNA-binding activity of the tudor domain and translational regulation at synapses.  NUCLEIC ACIDS RESEARCH, 2012. Lacoux, Caroline;  Di Marino, Daniele; Boyl, Pietro Pilo; Zalfa, Francesca; Yan, Bing; Ciotti, Maria Teresa; Falconi, Mattia; Urlaub, Henning; Achsel, Tilmann; Mougin, Annie; Caizergues-Ferrer, Michèle; Bagni, Claudia.  https://www.ncbi.nlm.nih.gov/pubmed/22238374

Mapping multiple potential ATP binding sites on the matrix side of the bovine ADP/ATP carrier by the combined use of MD simulation and docking  JOURNAL OF MOLECULAR MODELLING, 2012.  Di Marino, Daniele; Oteri, Francesco; Morozzo Della Rocca, Blasco; D’Annessa, Ilda; Falconi, Mattia.  https://www.ncbi.nlm.nih.gov/pubmed/21989959

Molecular and cellular aspects of mental retardation in the Fragile X syndrome: From gene mutation/s to spine dysmorphogenesis.  ADVANCES IN EXPERIMENTAL MEDICINE AND BIOLOGY, 2012. De Rubeis, Silvia; Fernández, Esperanza; Buzzi, Andrea;  Di Marino, Daniele; Bagni, Claudia.  https://www.ncbi.nlm.nih.gov/pubmed/22351071

2011

JNK3 as a therapeutic target for neurodegenerative diseases. JOURNAL OF ALZHEIMER’S DISEASE, 2010. Antoniou, Xanthi; Falconi, Mattia;  Di Marino, Daniele; Borsello, Tiziana.  https://www.ncbi.nlm.nih.gov/pubmed/21321401

2010

ADP/ATP mitochondrial carrier MD simulations to shed light on the structural-dynamical events that, after an additional mutation, restore the function in a pathological single mutant.  JOURNAL OF STRUCTURAL BIOLOGY, 2010.  Di Marino, Daniele; Oteri, Francesco; Morozzo della Rocca, Blasco; Chillemi, Giovanni; Falconi, Mattia.  https://www.ncbi.nlm.nih.gov/pubmed/20688168

Docking simulation and competitive experiments validate the interaction between the 2, 5-xylidine inhibitor and rigidoporus lignosus laccase.  JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2010. Cambria, Maria Teresa*;  Di Marino, Daniele*; Falconi, Mattia; Garavaglia, Silvia; Cambria, Antonio.  https://www.ncbi.nlm.nih.gov/pubmed/19916571

2008

The Fragile X Syndrome Protein Represses Activity-Dependent Translation through CYFIP1, a New 4E-BP. CELL, 2008. Napoli, Ilaria; Mercaldo, Valentina; Boyl, Pietro Pilo; Eleuteri, Boris; Zalfa, Francesca; De Rubeis, Silvia;  Di Marino, Daniele; Mohr, Evita; Massimi, Marzia; Falconi, Mattia; Witke, Walter; Costa-Mattioli, Mauro; Sonenberg, Nahum; Achsel, Tilmann; Bagni, Claudia.  https://www.ncbi.nlm.nih.gov/pubmed/18805096*Second page cover immage

Screening of EDA1 gene in X-linked anhidrotic ectodermal dysplasia using DHPLC: Identification of 14 novel mutations in Italian patients.  GENETIC TESTING, 2008. Conte, Chiara; Gambardella, Stefano; Bulli, Cristina; Rinaldi, Fabrizio;  Di Marino, Daniele; Falconi, Mattia; Bramanti, Placido; Desideri, Alessandro; Novelli, Giuseppe.  https://www.ncbi.nlm.nih.gov/pubmed/18666859

2006

Structural dynamics of the mitochondrial ADP/ATP carrier revealed by molecular dynamics simulation studies. PROTEINS, 2006. Falconi, Mattia; Chillemi, Giovamnni;  Di Marino, Daniele; D’Annessa, Ilda; Morozzo Della Rocca, Blasco; Palmieri, Luigi; Desideri, Alessandro https://www.ncbi.nlm.nih.gov/pubmed/16988954