Cover of J. Chem. Inf. Model. May 2019, Vol. 59 Number 5
Special Issue on Women in Computational Chemistry
Structure and Dynamics of the CRISPR-Cas9 catalytic complex
G. Palermo. J. Chem. Inf. Model. 2019, 59, 2394-2406.
Cover of J. Struct. Biol. May 2019, Vol. 206 Number 2
Understanding the mechanistic basis of non-coding RNA through molecular dynamics simulations
G. Palermo, L. Casalino, A. Magistrato and J. A. McCammon.J. Struct. Biol. 2019, 206, 267-279.
Picture by Amelia Palermo (painting) and Lorenzo Casalino (digital manipulation)
Cover of JACS November 2017, Vol. 139 Number 15
PAM-induced allostery activates CRISPR-Cas9.
G. Palermo, C. G. Ricci, A. Fernando, R. Basak, M. Jinek, I. Rivalta, V. S. Batista and J. A. McCammon. J. Am. Chem. Soc. 2017, 139 (45), pp 16028–16031.
Picture by Clarisse G. Ricci
Cover of JACS August 2016, Vol. 138 Number 33
Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II Introns.
L. Casalino, G. Palermo, U. Rothlisberger and A. Magistrato. J. Am. Chem. Soc. 2016, 138 (33), pp 10374–10377
Cover of the JPC B Special Issue in honor of J. A. McCammon. August 2016, Vol. 120 Number 33
Handmade painting (G. Palermo) and digital manipulation acknowledging the work of Prof. J. A. McCammon in “Pushing Frontiers of Biophysics”. Homepage Issue.
Cover of the AMBER 16 manual
The “Steitz & Steitz” two metal ion mechanism – as observed from molecular simulations – covers the AMBER 2016 reference manual.
G. Palermo, A. Cavalli, M. Klein, M. Alfonso-Preto, M. Dal Peraro, M. De Vivo. Acc. Chem. Res. 2015, 48 (2), pp 220-228
Special Thanks: Profs. David Case & Ross C. Walker
Showcasing research on Chem. Comm.
An optimized polyamine moiety boosts potency of human type II topoisomerase poisons as quantified by comparative analysis centered on the clinical candidate F14512
G. Palermo, E. Minniti, M. L. Greco, L. Riccardi, E. Simoni, M. Convertino, C. Marchetti, M. Rosini, C. Sissi, A. Minarini, M. De Vivo. ChemComm 2015, 51, 14310 – 14313
Cover of the June issue 2015 of PLoS Comp Biol
Handmade painting by myself and digital manipulation by O’Reilly Science Art, LLC.
Keys to Lipid Selection in Fatty Acid Amide Hydrolase Catalysis: Structural Flexibility, Gating Residues and Multiple Binding Pockets
G. Palermo, I. Bauer, P. Campomares, A. Cavalli, A. Armirotti, S. Girotto, U. Roethlisberger, M. De Vivo. PLoS Comput Biol 2015 11(6): e1004231. Homepage June Issue
Cover of the JPC B Special Issue in honor of W. L. Jorgensen. February 2015, Vol. 119 Number 3
Handmade painting (G. Palermo) and digital manipulation depicting the pioneering work of Prof. W. L. Jorgensen. Homepage Issue
Cover of JCTC February 2013, Vol. 9 Number 2
Handmade painting by myself depicting TypeII Topoisomerase in complex with DNA.
Molecular simulations highlight the role of metals in catalysis and inhibition of type II topoisomerase
G. Palermo, M. Stenta, A. Cavalli, M. Dal Peraro, M. De Vivo. J. Chem. Theory Comput., 2013, 9 (2), pp 857-862
Palermo Lab 