Jacopo Sgrignani
Jacopo Sgrignani
Scientist, IRB, Bellinzona
Verified email at
Cited by
Cited by
Compartmentalized activities of the pyruvate dehydrogenase complex sustain lipogenesis in prostate cancer
J Chen, I Guccini, D Di Mitri, D Brina, A Revandkar, M Sarti, E Pasquini, ...
Nature genetics 50 (2), 219-228, 2018
Structural biology of STAT3 and its implications for anticancer therapies development
J Sgrignani, M Garofalo, M Matkovic, J Merulla, CV Catapano, A Cavalli
International journal of molecular sciences 19 (6), 1591, 2018
Functionalized Fe‐filled multiwalled carbon nanotubes as multifunctional scaffolds for magnetization of cancer cells
R Marega, F De Leo, F Pineux, J Sgrignani, A Magistrato, AD Naik, ...
Advanced Functional Materials 23 (25), 3173-3184, 2013
Influence of the membrane lipophilic environment on the structure and on the substrate access/egress routes of the human aromatase enzyme. A computational study
J Sgrignani, A Magistrato
Journal of chemical information and modeling 52 (6), 1595-1606, 2012
Structural investigation of the 7-chloro-3-hydroxy-1 H-quinazoline-2, 4-dione scaffold to obtain AMPA and kainate receptor selective antagonists. synthesis, pharmacological …
V Colotta, D Catarzi, F Varano, O Lenzi, G Filacchioni, C Costagli, A Galli, ...
Journal of medicinal chemistry 49 (20), 6015-6026, 2006
Tuning the activity of Zn (II) complexes in DNA cleavage: clues for design of new efficient metallo-hydrolases
C Bazzicalupi, A Bencini, C Bonaccini, C Giorgi, P Gratteri, S Moro, ...
Inorganic chemistry 47 (12), 5473-5484, 2008
The Structural Role of Mg2+ Ions in a Class I RNA Polymerase Ribozyme: A Molecular Simulation Study
J Sgrignani, A Magistrato
The Journal of Physical Chemistry B 116 (7), 2259-2268, 2012
QM/MM MD simulations on the enzymatic pathway of the human flap endonuclease (hFEN1) elucidating common cleavage pathways to RNase H enzymes
J Sgrignani, A Magistrato
Acs Catalysis 5 (6), 3864-3875, 2015
Single or Multiple Access Channels to the CYP450s Active Site? an Answer from Free Energy Simulations of the Human Aromatase Enzyme
AC Alessandra Magistrato, Jacopo Sgrignani, Rolf Krause
J. Phys. Chem. Letter, 2017
Computational approaches elucidate the allosteric mechanism of human aromatase inhibition: a novel possible route to Small-molecule regulation of CYP450s activities?
J Sgrignani, M Bon, G Colombo, A Magistrato
Journal of chemical information and modeling 54 (10), 2856-2868, 2014
The inactivation of TEM-1 by Avibactam (NXL-104): insights from QM/MM metadynamics simulations.
CG Sgrignani J, Grazioso G, De Amici M
Biochemistry, 2014
Structural and Dynamic Properties of Monoclonal Antibodies Immobilized on CNTs: A Computational Study
AM Federica De Leo, Jacopo Sgrignani, Davide Bonifazi
Chemistry an European Journal, 2013
First-principles modeling of biological systems and structure-based drug-design
J Sgrignani, A Magistrato
Current computer-aided drug design 9 (1), 15-34, 2013
Rational design of allosteric modulators of the aromatase enzyme: An unprecedented therapeutic strategy to fight breast cancer
A Spinello, S Martini, F Berti, M Pennati, M Pavlin, J Sgrignani, G Grazioso, ...
European journal of medicinal chemistry 168, 253-262, 2019
Role of water in the puzzling mechanism of the final aromatization step promoted by the human aromatase enzyme. Insights from QM/MM MD simulations
J Sgrignani, M Iannuzzi, A Magistrato
Journal of chemical information and modeling 55 (10), 2218-2226, 2015
A candidate ion-retaining state in the inward-facing conformation of sodium/galactose symporter: clues from atomistic simulations
I Bisha, A Laio, A Magistrato, A Giorgetti, J Sgrignani
Journal of Chemical Theory and Computation 9 (2), 1240-1246, 2013
Insights into docking and scoring neuronal α4β2 nicotinic receptor agonists using molecular dynamics simulations and QM/MM calculations
J Sgrignani, C Bonaccini, G Grazioso, M Chioccioli, A Cavalli, P Gratteri
Journal of computational chemistry 30 (15), 2443-2454, 2009
Molecular dynamics of biomolecules through direct analysis of dipolar couplings.
O Simon, E Dariusz, S Jacopo, C Andrea
J. Am. Chem. Soc., 2015
Covalent docking of selected boron-based serine beta-lactamase inhibitors
J Sgrignani, B Novati, G Colombo, G Grazioso
Journal of Computer-Aided Molecular Design 29, 441-450, 2015
Theoretical studies of homogeneous catalysts mimicking nitrogenase
J Sgrignani, D Franco, A Magistrato
Molecules 16 (1), 442-465, 2011
The system can't perform the operation now. Try again later.
Articles 1–20