Sandomenico A, Ruggiero A, Iaccarino E, Oliver A, Squeglia F, Moreira M, Esposito L, Ruvo M, Berisio R
Unveiling CD59-Antibody Interactions to Design Paratope-Mimicking Peptides for Complement Modulation
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic), 2023 May 10; 24(10): 500-519.

Squeglia F, Romano M, Esposito L, Barra G, Campiglia P, Sala M, Scala MC, Ruggiero A, Berisio R
Structure-Based Development of SARS-CoV-2 Spike Interactors
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic), 2022 May 17; 23(10): N/D-N/D.

Squeglia F, Marasco D, Ruggiero A, Testa G, Esposito L, Berisio R
Structural and Binding Properties of the Active Cell Wall Hydrolase RipA from M. tuberculosis, a Promising Biosensing Molecule for Early Warning Bacterial Detection
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2022; 29(24): 4282-4292.

Balasco N, Damaggio G, Esposito L, Villani F, Berisio R, Colonna V, Vitagliano L
A global analysis of conservative and non-conservative mutations in SARS-CoV-2 detected in the first year of the COVID-19 world-wide diffusion
Sci Rep (ISSN: 2045-2322linking, 2045-2322electronic), 2021 Dec 30; 11(1): 24495-24495.

Esposito L, Balasco N, Smaldone G, Berisio R, Ruggiero A, Vitagliano L
AlphaFold-Predicted Structures of KCTD Proteins Unravel Previously Undetected Relationships among the Members of the Family
Biomolecules (ISSN: 2218-273xlinking), 2021 Dec 10; 11(12): N/D-N/D.

Asha H, Green JA, Martinez-fernandez L, Esposito L, Improta R
Electronic Circular Dichroism Spectra of DNA Quadruple Helices Studied by Molecular Dynamics Simulations and Excitonic Calculations including Charge Transfer States
Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2021 Aug 7; 26(16): N/D-N/D.

Moreira M, Ruggiero A, Esposito L, Choi HG, Kim HJ, Berisio R
Structural features of HtpGMtb and HtpG-ESAT6Mtb vaccine antigens against tuberculosis: Molecular determinants of antigenic synergy and cytotoxicity modulation
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2020 May 4; 158: 305-317.

Martínez-fernández L, Esposito L, Improta R
Studying the excited electronic states of guanine rich DNA quadruplexes by quantum mechanical methods: main achievements and perspectives
Photochem Photobiol Sci (ISSN: 1474-905xlinking), 2020 Apr 15; 19(4): 436-444.

Smaldone G, Ruggiero A, Balasco N, Abuhammad A, Autiero I, Caruso D, Esposito D, Ferraro G, Gelardi E, L , M , Moreira M, Quareshy M, Romano M, Saaret A, Selvam I, Squeglia F, Troisi R, Kroon-batenburg L, M , J , Esposito L, Berisio R, Vitagliano L
The non-swapped monomeric structure of the arginine-binding protein from Thermotoga maritima
Acta Crystallogr F Struct Biol Commun (ISSN: 2053-230xlinking), 2019 Nov 1; 75(Pt11): 707-713.

Esposito MV, Minopoli G, Esposito L, D'Argenio V, Di Maggio F, Sasso E, D'Aiuto M, Zambrano N, Salvatore F
A Functional Analysis of the Unclassified Pro2767Ser BRCA2 Variant Reveals Its Potential Pathogenicity that Acts by Hampering DNA Binding and Homology-Mediated DNA Repair
Cancers (ISSN: 2072-6694linking), 2019 Sep 28; 11(10): N/D-N/D.

Esposito L, Donnarumma F, Ruggiero A, Leone S, Vitagliano L, Picone D
Structure, stability and aggregation propensity of a Ribonuclease A-Onconase chimera
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2019 Jul 15; 133: 1125-1133.

Ruggiero A, Smaldone G, Esposito L, Balasco N, Vitagliano L
Loop size optimization induces a strong thermal stabilization of the thioredoxin fold
Febs J (ISSN: 1742-464xlinking), 2019 May; 286(9): 1752-1764.

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.

Balasco N, Esposito L, Vitagliano L
Factors affecting the amplitude of the tau angle in proteins: a revisitation
Acta Crystallogr D (ISSN: 2059-7983), 2017 Jul 01; 73(Pt7): 618-625.

Martinez-fernandez L, Banyasz A, Esposito L, Markovitsi D, Improta R
UV-induced damage to DNA: effect of cytosine methylation on pyrimidine dimerization
Signal Transduction And Targeted Therapy, 2017 Jun; N/D: N/D-N/D.

Balasco N, Esposito L, Thind AS, Guarracino MR, Vitagliano L
Dissection of Factors Affecting the Variability of the Peptide Bond Geometry and Planarity
Biomed Res Int (ISSN: 2314-6133, 2314-6141), 2017; 2017: 2617629-2617629.

Banyasz A, Martinez-fernandez L, Ketola TM, Munoz-losa A, Esposito L, Markovitsi D, Improta R
Excited State Pathways Leading to Formation of Adenine Dimers
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2016 Jun 2; 7(11): 2020-2023.

Banyasz A, Esposito L, Douki T, Perron M, Lepori C, Improta R, Markovitsi D
Effect of C5-Methylation of Cytosine on the UV-Induced Reactivity of Duplex DNA: Conformational and Electronic Factors
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207linking), 2016 May 12; 120(18): 4232-4242.

Improta R, Vitagliano L, Esposito L
The determinants of bond angle variability in protein/peptide backbones: A comprehensive statistical/quantum mechanics analysis
Proteins (ISSN: 0887-3585, 1097-0134), 2015 Nov; 83(11): 1973-1986.

De Paola I, Pirone L, Palmieri M, Balasco N, Esposito L, Russo L, Mazza D, Di Marcotullio L, Di Gaetano S, Malgieri G, Vitagliano L, Pedone E, Zaccaro L
Cullin3 - BTB interface: A novel target for stapled peptides
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015 Apr 7; 10(4): e0121149-e0121149.

Improta R, Vitagliano L, Esposito L
Bond distances in polypeptide backbones depend on the local conformation
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2015; 71: 1272-1283.

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.

Balasco N, Pirone L, Smaldone G, Di Gaetano S, Esposito L, Pedone E, Vitagliano L
Molecular recognition of Cullin3 by KCTDs: Insights from experimental and computational investigations
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Jul; 1844(7): 1289-1298.

Improta R, Vitagliano L,  Esposito L
Correction: Peptide bond distortions from planarity: New insights from quantum mechanical calculations and peptide/protein crystal structures (PLoS ONE)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014; 9(1): N/D-N/D.

Balasco N, Esposito L, De Simone A, Vitagliano L
Role of loops connecting secondary structure elements in the stabilization of proteins isolated from thermophilic organisms
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2013 Jul; 22(7): 1016-1023.

De Simonea A, Stanzione F, Marasco D, Vitagliano L, Esposito L
The Intrinsic Stability Of The Human Prion Beta-Sheet Region Investigated By Molecular Dynamics
Journal Of Biomolecular Structure & Dynamics, 2013 May 1; 31(5): 441-452.

Pennacchio A, Sannino V, Sorrentino G, Rossi M, Raia CA,  Esposito L
Biochemical and structural characterization of recombinant short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius highly enantioselective on diaryl diketone benzil
Appl Microbiol Biot (ISSN: 0175-7598), 2013 May; 97(9): 1-16.

Balasco N, Esposito L, De Simone A, Vitagliano L
FOR the RECORD: Role of loops connecting secondary structure elements in the stabilization of proteins isolated from thermophilic organisms
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2013; 22(7): 1016-1023.

Esposito L, Balasco N, De Simone A, Berisio R, Vitagliano L
Interplay between peptide bond geometrical parameters in nonglobular structural contexts
Biomed Res Int (ISSN: 2314-6133, 2314-6141, 2314-6141electronic), 2013; 2013: N/D-N/D.

Stanzione F, De Simone A,  Esposito L, Vitagliano L
Dynamical Properties of Steric Zipper Polymorphs Formed by a IAPP-Derived Peptide
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Sep; 19(8): 846-851.

Esposito L, Ruggiero A, Masullo M, Ruocco MR, Lamberti A, Arcari P, Zagari A, Vitagliano L
Crystallographic and spectroscopic characterizations of Sulfolobus solfataricus TrxA1 provide insights into the determinants of thioredoxin fold stability
J Struct Biol (ISSN: 1047-8477, 1047-8477linking), 2012 Feb; 177(2): 506-512.

Improta R, Vitagliano L, Esposito L
Peptide bond distortions from planarity: New insights from quantum mechanical calculations and peptide/protein crystal structures
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2011 Sep 16; 6(9): e24533-e24533.

Stanzione F, Esposito L, Paladino A, Pedone C, Morelli G, Vitagliano L
Role of the conformational versatility of the neurotrophin N-terminal regions in their recognition by Trk receptors
Biophys J (ISSN: 1542-0086, 0006-3495, 0006-3495linking), 2010 Oct 6; 99(7): 2273-2278.

Langella E, Pierre S, Ghattas W, Giorgi M, Réglier M, Saviano M, Esposito L, Hardré R
Probing The Peptidylglycine Alpha-Hydroxylating Monooxygenase Active Site With Novel 4-Phenyl-3-Butenoic Acid Based Inhibitors
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2010 Sep 3; 5(9): 1568-1576.

Alfieri A, Pasanisi F, Salzano S, Esposito L, Martone D, Tafuri D, Daniele A, Contaldo F, Sacchetti L, Zagari A, Buono P
Functional analysis of melanocortin-4-receptor mutants identified in severely obese subjects living in Southern Italy
Gene (ISSN: 0378-1119), 2010 Jun 1; 457(1-2): 35-41.

Pennacchio A, Giordano A, Esposito L, Langella E, Rossi M, Raia CA
Insight into the stereospecificity of short-chain Thermus thermophilus alcohol dehydrogenase showing pro-S hydride transfer and Prelog enantioselectivity
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2010 Apr; 17(4): 437-443.

Langella E, Pierre S, Ghattas W, Giorgi M, Rglier M, Saviano M,  Esposito L, Hardr R
Exploring Phm Active Site: Characterization Of Novel Pba-Derived Inhibitors Using A Combined Experimental And Computational Approach
Chemmedchem, 2010; 5: 1568-1576.

D'Antò V, Michelotti A, Esposito L, Zagari A, Liguori R, Sacchetti L
Nonsynonimous mutation of catechol-O-methyl-transferase (COMT) gene in a patient with temporomandibular disorder
J Sci Med Sport (ISSN: 1440-2440), 2010; 13(6): 174-179.

Vitagliano L, Stanzione F, De Simone A, Esposito L
Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.

Pennacchio A, Esposito L, Zagari A, Rossi M, Raia CA
Role of Tryptophan 95 in substrate specificity and structural stability of Sulfolobus solfataricus alcohol dehydrogenase
Extremophiles (ISSN: 1431-0651, 1433-4909, 1433-4909electronic), 2009 Sep; 13(5): 751-761.

Daniele A, Scala I, Cardillo G, Pennino C, Ungaro C, Sibilio M, Parenti G, Esposito L, Zagari A, Andria G, Salvatore F
Functional and structural characterization of novel mutations and genotype-phenotype correlation in 51 phenylalanine hydroxylase deficient families from Southern Italy
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(7): 2048-2059.

Vitagliano L, Esposito L, Pedone C, De Simone A
Stability of single sheet GNNQQNY aggregates analyzed by replica exchange molecular dynamics: antiparallel versus parallel association
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Dec 26; 377(4): 1036-1041.

Esposito L, Seydel A, Aiello R, Sorrentino G, Cendron L, Zanotti G, Zagari
The crystal structure of the superoxide dismutase from Helicobacter pylori reveals a structured C-terminal extension
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2008 Nov; 1784(11): 1601-1606.

De Simone A, Esposito L, Pedone C, Vitagliano L
Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 Sep 15; 95(4): 1965-1973.

Daniele A, Cardillo G, Pennino C, Carbone MT, Scognamiglio D, Esposito L, Correra A, Castaldo G, Zagari A, Salvatore F
Five human phenylalanine hydroxylase proteins identified in mild hyperphenylalaninemia patients are disease-causing variants
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2008 Jun; 1782(6): 378-384.

Esposito L, Paladino A, Pedone C, Vitagliano L
Insights into structure, stability, and toxicity of monomeric and aggregated polyglutamine models from molecular dynamics simulations
Biophys J (ISSN: 1542-0086, 0006-3495, 0006-3495linking), 2008 May 15; 94(10): 4031-4040.

Esposito L, Pedone C, Vitagliano L
Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2006 Sep 1; 103(31): 11533-11538.

Merlino A, Esposito L, Vitagliano L
Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jun 1; 63(4): 918-927.

Esposito L, De Simone A, Zagari A, Vitagliano L
Correlation Between Omega And Psi Dihedral Angles In Protein Structures
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2005 Apr 1; 347(3): 483-487.

Esposito L, Daggett V
Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.

Esposito L, Bruno I, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2003 Dec 16; 42(49): 14397-14407.

Esposito L, Bruno I, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
Structural study of a single-point mutant of Sulfolobus solfataricus alcohol dehydrogenase with enhanced activity
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2003 Mar 27; 539(1-3): 14-18.

Esposito L, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2002 Apr 26; 318(2): 463-477.

Esposito L, Vitagliano L, Mazzarella L
Recent advances in atomic resolution protein crystallography
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2002 Apr; 9(2): 95-105.

Orru S, Vitagliano L, Esposito L, Mazzarella L, Marino G, Ruoppolo M
Effect of deamidation on folding of ribonuclease
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2000 Dec; 9(12): 2577-2582.

Esposito L, Vitagliano L, Zagari A, Mazzarella L
Experimental evidence for the correlation of bond distances in peptide groups detected in ultrahigh-resolution protein structures
Protein Eng (ISSN: 0269-2139, 0269-2139print, 0269-2139linking), 2000 Dec; 13(12): 825-828.

Esposito L, Vitagliano L, Zagari A, Mazzarella L
Pyramidalization of backbone carbonyl carbon atoms in proteins
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2000 Oct; 9(10): 2038-2042.

Esposito L, Vitagliano L, Sica F, Sorrentino G, Zagari A, Mazzarella L
The ultrahigh resolution crystal structure of ribonuclease A containing an isoaspartyl residue: Hydration and sterochemical analysis
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2000 Mar 31; 297(3): 713-732.

 Esposito L, Sica F, Sorrentino G, Berisio R, Carotenuto L, Giordano A, Raia C, Rossi M, Lamzin VS, Willson KS, Zagari A
Protein Crystal Growth In The Advance Protein Crystallisation Facility On The Lms Mission: A Comparison Of Sulfolobus Solfataricus Alchool Dehydrogenase Crystals Grown On The Ground And In Microgravity
Acta Crystallogr D Biol Crystallogr, 1998; 54: 386-390.

Esposito L, Sica F, Sorrentino G, Berisio R, Carotenuto L, Giordano A, Raia CA, Rossi M, Lamzin VS, Wilson KS, Zagari A
Protein crystal growth in the advanced protein crystallization facility on the LMS mission: A comparison of Sulfolobus solfataricus alcohol dehydrogenase crystals grown on the ground and in microgravity
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 1998; 54(3): 386-390.

Capasso S, Di Donato A, Esposito L, Sica F, Sorrentino G, Vitagliano L, Zagari A, Mazzarella L
Deamidation in proteins: The crystal structure of bovine pancreatic ribonuclease with an isoaspartyl residue at position 67
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1996; 257(3): 492-496.