| 1 |
Equilibrium between 5-and 6-Fold Coordination in the First Hydration Shell of Cu(II)
Chillemi G, Pace E, D'Abramo M, Benfatto M
Journal of Physical Chemistry A, 120(22), 3958, 2016 |
| 2 |
Structural dynamics of V3 loop in a trimeric ambiance, a molecular dynamics study on gp120-CD4 trimeric mimic
Chandramouli B, Chillemi G, Desideri A
Journal of Structural Biology, 186(1), 132, 2014 |
| 3 |
X-ray Absorption Study of the Solvation Structure of Cu2+ in Methanol and Dimethyl Sulfoxide
Zitolo A, Chillemi G, D'Angelo P
Inorganic Chemistry, 51(16), 8827, 2012 |
| 4 |
Revised Ionic Radii of Lanthanoid(III) Ions in Aqueous Solution
D'Angelo P, Zitolo A, Migliorati V, Chillemi G, Duvail M, Vitorge P, Abadie S, Spezia R
Inorganic Chemistry, 50(10), 4572, 2011 |
| 5 |
On the Solvation of the Zn2+ Ion in Methanol: A Combined Quantum Mechanics, Molecular Dynamics, and EXAFS Approach
Migliorati V, Chillemi G, D'Angelo P
Inorganic Chemistry, 50(17), 8509, 2011 |
| 6 |
Effect of the Zn2+ and Hg2+ Ions on the Structure of Liquid Water
Migliorati V, Mancini G, Chillemi G, Zitolo A, D'Angelo P
Journal of Physical Chemistry A, 115(18), 4798, 2011 |
| 7 |
Assignment of UV-vis Spectrum of (3,3')-Diindolylmethane, a Leishmania donovani Topoisomerase IB Inhibitor and a Candidate DNA Minor Groove Binder
Coletta A, della Rocca BM, Jaisankar P, Majumder HK, Chillemi G, Sanna N, Desideri A
Journal of Physical Chemistry A, 114(26), 7121, 2010 |
| 8 |
Solvent Effects on the Valence UV-Vis Absorption Spectra of Topotecan Anticancer Drug in Aqueous Solution at Room Temperature: A Nanoseconds Time-Scale TD-DFT/MD Computational Study
Zazza C, Coletta A, Sanna N, Chillemi G, Mancini G, Desideri A
Journal of Physical Chemistry B, 114(20), 6770, 2010 |
| 9 |
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
Di Marino D, Oteri F, della Rocca BM, Chillemi G, Falconi M
Journal of Structural Biology, 172(3), 225, 2010 |
| 10 |
Dynamic Investigation of Protein Metal Active Sites: Interplay of XANES and Molecular Dynamics Simulations
D'Angelo P, Della Longa S, Arcovito A, Anselmi M, Di Nola A, Chillemi G
Journal of the American Chemical Society, 132(42), 14901, 2010 |
