| Detection of allosteric signal transmission by information-theoretic analysis of protein dynamics A Pandini, A Fornili, F Fraternali, J Kleinjung Biophysical Journal 102 (3), 225a, 2012 | 118 | 2012 |
| A pH-regulated quality control cycle for surveillance of secretory protein assembly S Vavassori, M Cortini, S Masui, S Sannino, T Anelli, IR Caserta, C Fagioli, ... Molecular cell 50 (6), 783-792, 2013 | 90 | 2013 |
| Structural alphabets derived from attractors in conformational space A Pandini, A Fornili, J Kleinjung BMC bioinformatics 11, 1-18, 2010 | 82 | 2010 |
| Molecular dynamics simulation of aqueous solutions of trimethylamine-N-oxide and tert-butyl alcohol A Fornili, M Civera, M Sironi, SL Fornili Physical Chemistry Chemical Physics 5 (21), 4905-4910, 2003 | 81 | 2003 |
| Determination of extremely localized molecular orbitals and their application to quantum mechanics/molecular mechanics methods and to the study of intramolecular hydrogen bonding A Fornili, M Sironi, M Raimondi Journal of Molecular Structure: THEOCHEM 632 (1-3), 157-172, 2003 | 76 | 2003 |
| GSATools: analysis of allosteric communication and functional local motions using a structural alphabet A Pandini, A Fornili, F Fraternali, J Kleinjung Bioinformatics 29 (16), 2053-2055, 2013 | 54 | 2013 |
| Specialized dynamical properties of promiscuous residues revealed by simulated conformational ensembles A Fornili, A Pandini, HC Lu, F Fraternali Journal of chemical theory and computation 9 (11), 5127-5147, 2013 | 41 | 2013 |
| Structural Basis for Substrate Specificity in Group I Nucleoside Hydrolases, E Iovane, B Giabbai, L Muzzolini, V Matafora, A Fornili, C Minici, ... Biochemistry 47 (15), 4418-4426, 2008 | 40 | 2008 |
| Molecular dynamics simulation of aqueous solutions of glycine betaine M Civera, A Fornili, M Sironi, SL Fornili Chemical physics letters 367 (1-2), 238-244, 2003 | 39 | 2003 |
| Decrypting prion protein conversion into a β-rich conformer by molecular dynamics N Chakroun, A Fornili, S Prigent, J Kleinjung, CA Dreiss, H Rezaei, ... Journal of Chemical Theory and Computation 9 (5), 2455-2465, 2013 | 36 | 2013 |
| Structure and functional analysis of the Legionella pneumophila chitinase ChiA reveals a novel mechanism of metal-dependent mucin degradation S Rehman, LS Grigoryeva, KH Richardson, P Corsini, RC White, R Shaw, ... PLoS pathogens 16 (5), e1008342, 2020 | 33 | 2020 |
| Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals A Genoni, A Fornili, M Sironi Journal of computational chemistry 26 (8), 827-835, 2005 | 33 | 2005 |
| Frozen core orbitals as an alternative to specific frontier bond potential in hybrid Quantum Mechanics/Molecular Mechanics methods A Fornili, PF Loos, M Sironi, X Assfeld Chemical physics letters 427 (1-3), 236-240, 2006 | 32 | 2006 |
| On the suitability of strictly localized orbitals for hybrid QM/MM calculations A Fornili, Y Moreau, M Sironi, X Assfeld Journal of computational chemistry 27 (4), 515-523, 2006 | 28 | 2006 |
| Structural features of the regulatory ACT domain of phenylalanine hydroxylase C Carluccio, F Fraternali, F Salvatore, A Fornili, A Zagari PloS one 8 (11), e79482, 2013 | 27 | 2013 |
| Water interaction with glycine betaine: A hybrid QM/MM molecular dynamics simulation M Sironi, A Fornili, SL Fornili Physical Chemistry Chemical Physics 3 (6), 1081-1085, 2001 | 24 | 2001 |
| Protein–protein interaction networks studies and importance of 3D structure knowledge HC Lu, A Fornili, F Fraternali Expert review of proteomics 10 (6), 511-520, 2013 | 23 | 2013 |
| In silico phosphorylation of the autoinhibited form of p47phox: insights into the mechanism of activation F Autore, B Pagano, A Fornili, K Rittinger, F Fraternali Biophysical journal 99 (11), 3716-3725, 2010 | 23 | 2010 |
| Allosteric modulation of cardiac myosin dynamics by omecamtiv mecarbil S Hashem, M Tiberti, A Fornili PLoS computational biology 13 (11), e1005826, 2017 | 22 | 2017 |
| Protein–water interactions in MD simulations: POPS/POPSCOMP solvent accessibility analysis, solvation forces and hydration sites A Fornili, F Autore, N Chakroun, P Martinez, F Fraternali Computational Drug Discovery and Design, 375-392, 2012 | 22 | 2012 |
