Recent Publications

M. Tiberti, B.-D. Lechner, A. Fornili (2018). Binding Pockets in Proteins Induced by Mechanical Stress. Journal of Chemical Theory and Computation.10.1021/acs.jctc.8b00755

M. Tiberti, A. Pandini, F. Fraternali, A. Fornili (2018). In silico identification of rescue sites by double force scanning. Bioinformatics. 34:207-214.  10.1093/bioinformatics/btx515

S. Hashem, M. Tiberti, A. Fornili (2017). Allosteric modulation of cardiac myosin dynamics by omecamtiv mecarbil. PLoS Computational Biology 13: e1005826. 10.1371/journal.pcbi.1005826

A. Pandini and A. Fornili (2016). Using Local States To Drive the Sampling of Global Conformations in Proteins. Journal of Chemical Theory and Computation. 12:1368–1379. 10.1021/acs.jctc.5b00992

C Carluccio, F Fraternali, Salvatore, A Fornili, A Zagari (2015). Towards the identification of the allosteric Phe-binding site in phenylalanine hydroxylase. Journal of Biomolecular Structure and Dynamics, 10.1080/07391102.2015.1052016.

H Lu, S Chung, A Fornili, F Fraternali (2015). Anatomy of protein disorder, flexibility and disease-related mutations. Frontiers in Molecular Biosciences 2:47. 10.3389/fmolb.2015.00047

A Fornili, E Rostkova, F Fraternali, M Pfuhl (2014). Phosphorylation Modulates the Dynamics of the N-Terminal Tail in Cardiac RLC. Biophysical Journal vol. 106, (2) 33A-33A. 10.1016/j.bpj.2013.11.253

C Carluccio, F Fraternali, F Salvatore, A Fornili, A Zagari (2013). Structural features of the regulatory ACT domain of phenylalanine hydroxylase. PLoS ONE vol. 8, (11) 10.1371/journal.pone.0079482

A Fornili, A Pandini, HC Lu, F Fraternali (2013). Specialized dynamical properties of promiscuous residues revealed by simulated conformational ensembles. Journal of Chemical Theory and Computation vol. 9, (11) 5127-5147. 10.1021/ct400486p

A Pandini, A Fornili, F Fraternali, J Kleinjung (2013). GSATools: Analysis of allosteric communication and functional local motions using a structural alphabet. Bioinformatics vol. 29, (16) 2053-2055. 10.1093/bioinformatics/btt326

S Vavassori, M Cortini, S Masui, S Sannino, T Anelli, IR Caserta, C Fagioli, MF Mossuto, A Fornili, E van Anken, M Degano, K Inaba, R Sitia (2013). A pH-Regulated Quality Control Cycle for Surveillance of Secretory Protein Assembly. Molecular Cell vol. 50, (6) 783-792. 10.1016/j.molcel.2013.04.016

N Chakroun, A Fornili, S Prigent, J Kleinjung, CA Dreiss, H Rezaei, F Fraternali (2013). Decrypting prion protein conversion into a β-rich conformer by molecular dynamics. Journal of Chemical Theory and Computation vol. 9, (5) 2455-2465. 10.1021/ct301118j

Lu H-C, Fornili A, Fraternali F (2013). Protein-Protein interaction networks studies and importance of 3D structure knowledge. Expert Review of Proteomics vol. 10, (6) 511-520. 10.1586/14789450.2013.856764

A Pandini, A Fornili, F Fraternali, J Kleinjung (2012). Detection of allosteric signal transmission by information-theoretic analysis of protein dynamics. FASEB Journal vol. 26, (2) 868-881. 10.1096/fj.11-190868

A Fornili, F Autore, N Chakroun, P Martinez, F Fraternali (2012). Protein-water interactions in MD simulations: POPS/POPSCOMP solvent accessibility analysis, solvation forces and hydration sites. Methods in Molecular Biology vol. 819, 375-392. 10.1007/978-1-61779-465-0_23

A Fornili, B Giabbai, G Garau, M Degano (2010). Energy landscapes associated with macromolecular conformational changes from endpoint structures. Journal of the American Chemical Society vol. 132, (49) 17570-17577. 10.1021/ja107640u

F Autore, B Pagano, A Fornili, K Rittinger, F Fraternali (2010). In silico phosphorylation of the autoinhibited form of p47phox: Insights into the mechanism of activation. Biophysical Journal vol. 99, (11) 3716-3725. 10.1016/j.bpj.2010.09.008

A Pandini, A Fornili, J Kleinjung (2010) . Structural alphabets derived from attractors in conformational space. BMC Bioinformatics vol. 11, 10.1186/1471-2105-11-97

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