Autiero I, Vitagliano L
Enhanced molecular dynamic simulation studies unravel long-range effects caused by sequence variations and partner binding in RNA aptamers
Mol Ther Nucleic Acids (ISSN: 2162-2531linking), 2023 Dec 12; 34: 102039-102039.

Sardaru M-C, Marangoci N-L, Palumbo R, Roviello GN, Rotaru A
Nucleic Acid Probes in Bio-Imaging and Diagnostics: Recent Advances in ODN-Based Fluorescent and Surface-Enhanced Raman Scattering Nanoparticle and Nanostructured Systems
Molecules, 2023 Apr; 28: 3561-3561.

Greco F, Marzano M, Falanga AP, Terracciano M, Piccialli G, Roviello GN, D , #xerrico S, Borbone N, Oliviero G
Cytosine-rich oligonucleotides incorporating a non-nucleotide loop: A further step towards the obtainment of physiologically stable i-motif DNA
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2022 Oct 31; 219: 626-636.

Rinaldi S, Colombo G, Paladino A
The dynamics of t1 adenosine binding on human Argonaute 2: Understanding recognition with conformational selection
Protein Sci (ISSN: 0961-8368linking), 2022 Aug; 31 (8 ): e4377-N/D.

Borbone N, Piccialli I, Falanga AP, Piccialli V, Roviello GN, Oliviero G
Nucleic Acids as Biotools at the Interface between Chemistry and Nanomedicine in the COVID-19 Era
International Journal Of Molecular Sciences, 2022 Jun; 23: 4359-4375.

Wang X, Martínez-fernández L, Zhang Y, Zhang K, Improta R, Kohler B, Xu J, Chen J
Solvent-Dependent Stabilization of a Charge Transfer State is the Key to Ultrafast Triplet State Formation in an Epigenetic DNA Nucleoside
Chemistry (ISSN: 0947-6539linking, 1521-3765electronic), 2021 Jul 26; 27(42): 10932-10940.

Ogloblina AM, Iaccarino N, Capasso D, Di Gaetano S, Garzarella EU, Dolinnaya NG, Yakubovskaya MG, Pagano B, Amato J, Randazzo A
Toward G-Quadruplex-Based Anticancer Agents: Biophysical and Biological Studies of Novel AS1411 Derivatives
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic, 1661-6596), 2020 Oct 21; 21(20): N/D-N/D.

Yaghoubi Jouybari M, Liu Y, Improta R, Santoro F
Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study
J Chem Theory Comput (ISSN: 1549-9618linking, 1549-9626electronic), 2020 Sep 8; 16(9): 5792-5808.

Marzano M, Falanga AP, D'Errico S, Pinto B, Roviello GN, Piccialli G, Oliviero G, Borbone N
New G-quadruplex-forming oligodeoxynucleotides incorporating a bifunctional Double-Ended Linker (DEL): effects of DEL size and ODNs orientation on the topology, stability and molecularity of DEL-G-quadruplexes
Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2019 Feb 12; 24(3): 654-654.

Banyasz A, Martinez-fernandez L, Improta R, Ketola TM, Balty C, Markovitsi D
Radicals generated in alternating guanine-cytosine duplexes by direct absorption of low-energy UV radiation
Phys Chem Chem Phys (ISSN: 1463-9084electronic, 1463-9076linking), 2018 Aug 22; 20(33): 21381-21389.

Martinez-fernandez L, Improta R
Sequence dependence on DNA photochemistry: a computational study of photodimerization pathways in TpdC and dCpT dinucleotides
Photochemical & (ISSN: 1474-9092electronic, 1474-905xlinking), 2018 May 16; 17(5): 586-591.

Avitabile C, Diaferia C, Della Ventura B, Mercurio FA, Leone M, Roviello V, Saviano M, Velotta R, Morelli G, Accardo A, Romanelli A
Self-Assembling of Fmoc-GC Peptide Nucleic Acid Dimers into Highly Fluorescent Aggregates
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018 Mar 26; 24(18): 4729-4735.

Banyasz A, Ketola T, Martinez-fernandez L, Improta R, Markovitsi D
Adenine radicals generated in alternating AT duplexes by direct absorption of low-energy UV radiation
Faraday Discuss (ISSN: 1359-6640print, 1359-6640linking), 2018 Jan 26; N/D: N/D-N/D.

Martinez Fernandez L, Muñoz-losa A, Esposito L, Improta R
The optical properties of adenine cation in different oligonucleotides: a PCM/TD‑DFT study
Theor Chem Acc (ISSN: 1432-881x), 2018; 137(3): N/D-N/D.

Conti I, Martinez-fernandez L, Esposito L, Hofinger S, Nenov A, Garavelli M, Improta R
Multiple Electronic and Structural Factors Control Cyclobutane Pyrimidine Dimer and 6-4 Thymine-Thymine Photodimerization in a DNA Duplex
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017 Oct 26; 23(60): 15177-15188.

Piras L, Avitabile C, D'Andrea LD, Saviano M, Romanelli A
Detection of oligonucleotides by PNA-peptide conjugates recognizing the biarsenical fluorescein complex FlAsH-EDT2
Biochem Bioph Res Co (ISSN: 0006-291x), 2017 Sep 15; N/D: N/D-N/D.

Martinez-fernandez L, Improta R
Novel adenine/thymine photodimerization channels mapped by PCM/TD-DFT calculations on dApT and TpdA dinucleotides
Photoch Photobio Sci (ISSN: 1474-905x), 2017 Jun 22; 16(8): 1277-1283.

Pepino AJ, Segarra-marti J, Nenov A, Improta R, Garavelli M
Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2017 Apr 20; 8(8): 1777-1783.

Banyasz A, Ketola TM, Munoz-losa A, Rishi S, Adhikary A, Sevilla MD, Martinez-fernandez L, Improta R, Markovitsi D
UV-Induced Adenine Radicals Induced in DNA A-Tracts: Spectral and Dynamical Characterization
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2016 Oct 06; 7(19): 3949-3953.

Martinez-fernandez L, Zhang Y, De La Harpe K, Beckstead AA, Kohler B, Improta R
Photoinduced long-lived charge transfer excited states in AT-DNA strands
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2016 Aug 21; 18(31): 21241-21245.

Improta R, Santoro F, Blancafort L
Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases
Chem Rev (ISSN: 0009-2665), 2016; 116(6): 3540-3593.

Roviello GN, Vicidomini C, Di Gaetano S, Capasso D, Musumeci D, Roviello V
Solid phase synthesis and RNA-binding activity of an arginine-containing nucleopeptide
Rsc Adv (ISSN: 2046-2069, 2046-2069electronic), 2016; 6(17): 14140-14148.

Zhang Y, de La Harpe K, Beckstead AA, Improta R, Kohler B
UV-Induced Proton Transfer between DNA Strands
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2015 Jun 10; 137(22): 7059-7062.

Improta R, Barone V
Excited States behavior of nucleobases in solution: insights from computational studies
Top Curr Chem (ISSN: 0340-1022), 2015; 355: 329-357.

Avitabile C, D'Andrea LD, Romanelli A
Exploring the dark matter of the human genome using oligonucleotide-based molecules
Future Med Chem (ISSN: 1756-8919, 1756-8919linking, 1756-8927electronic), 2015; 7(13): 1627-1630.

Musumeci D, Rozza L, Merlino A, Paduano L, Marzo T, Massai L, Messori L, Montesarchio D
Interaction of anticancer Ru(III) complexes with single stranded and duplex DNA model systems
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9226linking), 2015; 44(31): 13914-13925.

Changenet-Barret P, Gustavsson T, Improta R, Markovitsi D
Ultrafast Excited-State Deactivation of 8-Hydroxy-2′-deoxyguanosine Studied by Femtosecond Fluorescence Spectroscopy and Quantum-Chemical Calculations
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking), 2015; 119(23): 6131-6139.

Zhang Y, Dood J, Beckstead AA, Li X-B, Nguyen KV, Burrows CJ, Improta R, Kohler B
Efficient UV-induced charge separation and recombination in an 8-oxoguanine-containing dinucleotide
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Sep 12; 111(32): 11612-11617.

Esposito L, Banyasz A, Douki T, Perron M, Markovitsi D, Improta R
Effect of C5-methylation of cytosine on the photoreactivity of DNA: A joint experimental and computational study of TCG trinucleotides
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2014 Sep 6; 136(31): 10838-10841.

Improta R
Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jun 23; 20(26): 8106-8115.

Santoro F, Improta R, Fahleson T, Kauczor J, Norman P, Coriani S
Relative stability of the La and Lb excited states in adenine and guanine: Direct evidence from TD-DFT calculations of MCD spectra
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2014 Jun 5; 5(11): 1806-1811.

Romanucci V, Milardi D, Campagna T, Gaglione M, Messere A, D'Urso A, Crisafi E, La Rosa C, Zarrelli A, Balzarini J, Di Fabio G
Synthesis, biophysical characterization and anti-HIV activity of d(TG(3)AG) Quadruplexes bearing hydrophobic tails at the 5 '-end
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 0968-0896linking), 2014 Feb 1; 22(3): 960-966.

Malgieri G, Palmieri M, Esposito S, Maione V, Russo L, Baglivo I, De Paola I, Milardi D, Diana D, Zaccaro L, Pedone PV, Fattorusso R, Isernia C
Zinc To Cadmium Replacement In The Prokaryotic Zinc-Finger Domain
Metallomics (ISSN: 1756-591x, 1756-5901, 1756-591xelectronic), 2013 Dec 18; 6(1): 96-104.

Banyasz A, Gustavsson T, Onidas D, Changenet-Barret P, Markovitsi D, Improta R
Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.

Improta R
Photophysics and photochemistry of thymine deoxy-dinucleotide in water: A PCM/TD-DFT quantum mechanical study
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Dec 13; 116(49): 14261-14274.

Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.

Hua Y, Changenet-Barret P, Improta R, Vaya I, Gustavsson T, Kotlyar AB, Zikich D, Sket P, Plavec J, Markovitsi D
Cation effect on the electronic excited states of guanine nanostructures studied by time-resolved fluorescence spectroscopy
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.

Musumeci D, Oliviero G, Roviello GN, Bucci EM, Piccialli G
G-quadruplex-forming oligonucleotide conjugated to magnetic nanoparticles: Synthesis, characterization, and enzymatic stability assays
Bioconjug Chem (ISSN: 1043-1802, 1520-4812, 1520-4812electronic), 2012 Mar 21; 23(3): 382-391.

Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R
Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.

Improta R, Barone V
Interplay between "neutral" and "charge-transfer" excimers rules the excited state decay in adenine-rich polynucleotides
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic, 1433-7851linking), 2011 Dec 9; 50(50): 12016-12019.

Picconi D, Barone V, Lami A, Santoro F, Improta R
The Interplay between ππ*/nπ* excited states in gas-phase thymine: A quantum dynamical study
Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-7641electronic), 2011 Jul 11; 12(10): 1957-1968.

Banyasz A, Karpati S, Mercier Y, Reguero M, Gustavsson T, Markovitsi D, Improta R
The peculiar spectral properties of amino-substituted uracils: A combined theoretical and experimental study
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Oct 7; 114(39): 12708-12719.

Changenet-Barret P, Emanuele E, Gustavsson T, Improta R, Kotlyar AB, Markovitsi D, Vaya I, Zakrzewska K, Zikich D
Optical properties of guanine nanowires: Experimental and theoretical study
J Phys Chem C (ISSN: 1932-7447), 2010 Sep 2; 114(34): 14339-14346.

Gustavsson T, Improta R, Markovitsi D
DNA/RNA: Building blocks of life under UV irradiation
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2010 Jul 1; 1(13): 2025-2030.

Improta R, Santoro F, Barone V, Lami A
Vibronic model for the quantum dynamical study of the competition between bright and charge-transfer excited states in single-strand polynucleotides: the adenine dimer case
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking), 2009 Dec 31; 113(52): 15346-15354.

Improta R, Barone V
PCM/TD-DFT study of the two lowest excited states of uracil derivatives in solution: The effect of the functional and of the cavity model
J Mol Struct Theochem (ISSN: 0166-1280), 2009 Nov 30; 914(1-3): 87-93.

Karunakaran V, Kleinermanns K, Improta R, Kovalenko SA
Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.

Santoro F, Barone V, Improta R
The Excited States Decay Of The A-T Dna: A Pcm/Td-Dft Study In Aqueous Solution Of The (9-Methyl-Adenine) 2 (1-Methyl-Thymine) 2 Stacked Tetramer
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(42): 15232-15245.

Mercier Y, Santoro F, Reguero M, Improta R
The decay from the dark nπ* excited state in uracil: An integrated CASPT2/CASSCF and PCM/TD-DFT study in the gas phase and in water
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2008 Sep 4; 112(35): 10769-10772.

Roviello GN, Musumeci D, Bucci EM, Castiglione M, Cesarani A, Pedone C, Piccialli G
Evidences for complex formation between l-dabPNA and aegPNA
Bioorg Med Chem Lett (ISSN: 0960-894x, 1464-3405, 1464-3405electronic), 2008 Sep 1; 18(17): 4757-4760.

Improta R, Barone V
The excited states of adenine and thymine nucleoside and nucleotide in aqueous solution: A comparative study by time-dependent DFT calculations
Theor Chem Acc (ISSN: 1432-881x), 2008 Jul; 120(4-6): 491-497.

Gustavsson T, Bányász A, Sarkar N, Markovitsi D, Improta R
Assessing solvent effects on the singlet excited state lifetime of uracil derivatives: A femtosecond fluorescence upconversion study in alcohols and D2O
Chem Phys (ISSN: 0301-0104), 2008 Jun 23; 350(1-3): 186-192.

Gustavsson T, Banyasz A, Sarkar N, Markovitsi D, Improta R
Statin: New life for an old drug
Pharmacol Res Academic Press, 2008 Jun 23; 350(1-3): 1-2.

Santoro F, Barone V, Improta R
Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic, 0192-8651linking), 2008 Apr 30; 29(6): 957-964.

Improta R
The Excited States Of Pi-Stacked 9-Methyl Adenine Oligomers: A Td-Dft Study In Aqueous Solution
Physical Chemistry Chemical Physics, 2008; 10: 2656-2664.

Santoro F, Barone V, Benzi C, Improta R
Excited state properties of sizable molecules in solution: From structure to reactivity
Theor Chem Acc (ISSN: 1432-881x), 2007 May; 117(5-6): 1073-1084.

Bonomo RP, Pappalardo G, Rizzarelli E, Santoro AM, Tabbì G, Vagliasindi LI
Nitrogen oxide interaction with copper complexes formed by small peptides belonging to the prion protein octa-repeat region
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2007 Apr 14; (14): 1400-1408.

Bucci EM, Valente M, Musumeci D, Sapio R, Anrò V, Roviello GN, Moccia M
ODN-based drugs for targeting of extracellular proteins
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(8-9): 1047-1050.

Moccia M, Musumeci D, Valente M, Roviello GN, Sapio R, Pedone C, Bucci EM
Thermodynamic studies on PNA and PNA/DNA dendrimer formation
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(8-9): 1173-1176.

Santoro F, Barone V, Gustavsson T, Improta R
Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.

Improta R, Barone V, Scalmani G, Frisch MJ
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Sep 7; 125(5): N/D-N/D.

Borgatti M, Finotti A, Romanelli A, Saviano M, Bianchi N, Lampronti I, Lambertini E, Penolazzi L, Nastruzzi C, Mischiati C, Piva R, Pedone C, Gambari R
Peptide nucleic acids (PNA)-DNA chimeras targeting transcription factors as a tool to modify gene expression
Curr Drug Targets (ISSN: 1389-4501), 2004 Nov; 5(8): 735-744.

Mischiati C, Sereni A, Finotti A, Breda L, Cortesi R, Nastruzzi C, Romanelli A, Saviano M, Bianchi N, Pedone C, Borgatti M, Gambari R
Complexation to cationic microspheres of double-stranded peptide nucleic acid-DNA chimeras exhibiting decoy activity
Journal Of Biomedical Science (ISSN: 1021-7770), 2004 Sep; 11(5): 697-704.

Caricasole A, Copani A, Caraci F, Aronica E, Rozemuller AJ, Caruso A, Storto M, Gaviraghi G, Terstappen GC, Nicoletti F
Induction of Dickkopf-1, a negative modulator of the Wnt pathway, is associated with neuronal degeneration in Alzheimer's brain
J Neurosci (ISSN: 0270-6474, 0361-803x, 1529-2401), 2004 Jun 30; 24(26): 6021-6027.

Barone V, Formaggio F, Improta R, Polo F, Maran F
Electron transfer to and conformational preferences of Aib oligo-peptides
Proc Electrochem Soc, 2004; 10: 29-32.

Vitagliano L, Masullo M, Sica F, Zagari A, Bocchini V
The crystal structure of Sulfolobus solfataricus elongation factor 1α in complex with GDP reveals novel features in nucleotide binding and exchange
Embo J (ISSN: 0261-4189, 0261-4189linking), 2001 Oct 1; 20(19): 5305-5311.

Zannetti A, Del Vecchio S, Carriero MV, Fonti R, Franco P, Botti G, D'Aiuto G, Stoppelli MP, Salvatore M
Coordinate up-regulation of Sp1 DNA-binding activity and urokinase receptor expression in breast carcinoma
Cancer Res (ISSN: 0008-5472, 1538-7445, 1538-7445electronic), 2000 Mar 15; 60(6): 1546-1551.

De Napoli L, De Luca S, Di Fabio G, Messere A, Montesarchio D, Morelli G, Piccialli G, Tesauro D
A facile solid-phase strategy for the synthesis of oligonucleotide- tetraphenylporphyrin conjugates
European Journal Of Organic Chemistry (ISSN: 1434-193x), 2000; (6): 1013-1018.

Sica F, Adinolfi S, Berisio R, De Lorenzo C, Mazzarella L, Piccoli R, Vitagliano L, Zagari A
Crystallization of multiple forms of bovine seminal ribonuclease in the liganded and unliganded state
J Cryst Growth (ISSN: 0022-0248), 1999; 196(2-4): 305-312.

Adinolfi S, Piccoli R, Sica F, Mazzarella L
BS-RNase tetramers: An example of domain-swapped oligomers
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 1996 Dec 2; 398(2-3): 326-332.

Mastruzzo L, Woisard A, Ma DD, Rizzarelli E, Favre A, Le Doan T
Photochem Photobiol (ISSN: 0031-8655), 1994 Oct; 60(4): 316-322.

Bustamante C, Gurrieri S, Pasternack RF, Purrello R, Rizzarelli E
Interaction of water-soluble porphyrins with single- and double-stranded polyribonucleotides
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Sep; 34(8): 1099-1104.

Maglione D, Guerriero V, Viglietto G, Ferraro MG, Aprelikova O, Alitalo K, Del Vecchio S, Lei KJ, Chou JY, Persico MG
Two alternative mRNAs coding for the angiogenic factor, placenta growth factor (PlGF), are transcribed from a single gene of chromosome 14
Oncogene (ISSN: 0950-9232, 1476-5594), 1993; 8(4): 925-931.