Dr Arianna Fornili

Sonne A, Antonovic AK, Melhedegaard E, Akter F, Andersen JL, Jungbluth H, Witting N, Vissing J, Zanoteli E, Fornili A and Ochala J (2023). Abnormal myosin post‐translational modifications and ATP turnover time associated with human congenital myopathy‐related RYR1 mutations. Acta Physiologica, Wiley vol. 239 (2) 
21-08-2023

Akter F, Ochala J and Fornili A (2023). Binding pocket dynamics along the recovery stroke of human β-cardiac myosin. PLOS Computational Biology, Public Library of Science (PLoS) vol. 19 (5) 
18-05-2023

Antonovic AK, Ochala J and Fornili A (2023). A rational approach to selective targeting of skeletal myosin. Biophysical Journal, Elsevier vol. 122 (3) 
01-02-2023

Antonovic AK, Ochala J and Fornili A (2022). Comparative study of binding pocket structure and dynamics in cardiac and skeletal myosin. Biophysical Journal, Biophysical Society vol. 122 (1), 54-62.  
29-11-2022

Colomba A, Claus J, Gao F, George R, Fornili A and Cameron AJM (2022). Targeting the HER3 pseudokinase domain with small molecule inhibitors. 
01-01-2022

Motta S, Pandini A, Fornili A and Bonati L (2021). Reconstruction of ARNT PAS-B Unfolding Pathways by Steered Molecular Dynamics and Artificial Neural Networks. Journal of Chemical Theory and Computation, American Chemical Society 
29-03-2021

Fornili A, Hashem S and Davies WG (2020). Heart Failure Drug Modifies the Intrinsic Dynamics of the Pre-Power Stroke State of Cardiac Myosin. Journal of Chemical Information and Modeling, American Chemical Society 
07-12-2020

Rehman S, Grigoryeva LS, Richardson KH, Corsini P, White RC, Shaw R, Portlock TJ, Dorgan B, Zanjani ZS, Fornili A, Cianciotto NP and Garnett JA (2020). Structure and functional analysis of the Legionella pneumophila chitinase ChiA reveals a novel mechanism of metal-dependent mucin degradation. PLOS Pathogens, Public Library of Science (PLoS) vol. 16 (5) 
04-05-2020

Motta S, Pandini A, Fornili A and Bonati L (2020). Reconstruction of ARNT PAS-B Unfolding Paths by Steered MD and Artificial Neural Network Reveals New Putative Binding Conformations. Biophysical Journal, Biophysical Society vol. 118 (3), 297A-297A.  
07-02-2020

Tiberti M, Lechner B-D and Fornili A (2018). Binding Pockets in Proteins Induced by Mechanical Stress. Journal of Chemical Theory and Computation, American Chemical Society (ACS) vol. 15 (1), 1-6.  
10-12-2018

Hashem S, Tiberti M and Fornili A (2018). Allosteric Modulation of Cardiac Myosin Dynamics by Omecamtiv Mecarbil. 
01-02-2018

Tiberti M, Pandini A, Fraternali F and Fornili A (2018). In Silico Identification of Rescue Sites by Double Force Scanning. 
01-02-2018

Tiberti M, Lechner B-D and Fornili A (2018). Binding Pockets Under Mechanical Stress. 
01-02-2018

Hashem S, Tiberti M and Fornili A (2017). Allosteric modulation of cardiac myosin dynamics by omecamtiv mecarbil., Editors: Wei G. PLOS Computational Biology vol. 13 (11), e1005826-e1005826.  
06-11-2017

Tiberti M, Pandini A, Fraternali F and FORNILI A (2017). In silico identification of rescue sites by double force scanning. Bioinformatics, Oxford University Press (OUP) 
14-08-2017

Pandini A and Fornili A (2016). Using Local States To Drive the Sampling of Global Conformations in Proteins. Journal of Chemical Theory and Computation, American Chemical Society (ACS) vol. 12 (3), 1368-1379.  
12-02-2016

Fornili A, Rostkova E, Fraternali F and Pfuhl M (2016). Effect of RlC N-Terminal Tails on the Structure and Dynamics of Cardiac Myosin. 
01-02-2016

Pandini A and Fornili A (2016). Biasing the Sampling of Local States to Drive the Exploration of Global Conformations in Proteins. 
01-02-2016

Carluccio C, Fraternali F, Salvatore F, Fornili A and Zagari A (2015). Towards the identification of the allosteric Phe-binding site in phenylalanine hydroxylase. Journal of Biomolecular Structure and Dynamics, Taylor & Francis vol. 34 (3), 497-507.  
19-10-2015

Lu H-C, Chung SS, Fornili A and Fraternali F (2015). Anatomy of protein disorder, flexibility and disease-related mutations. Frontiers in Molecular Biosciences, Frontiers vol. 2 
12-08-2015

FORNILI A, Rostkova E, Fraternali F and Pfuhl M (2014). Phosphorylation Modulates the Dynamics of the N-Terminal Tail in Cardiac RLC., Editors: NA . Biophysical Journal, Biophysical Society vol. 106 (2), 33A-33A.  
01-01-2014

Pandini A, Fornili A, Fraternali F and Kleinjung J (2014). Gsatools: Analysis of Allosteric Communication and Functional Local Motions using a Structural Alphabet. 
01-01-2014

Carluccio C, Fraternali F, Salvatore F, Fornili A and Zagari A (2013). Structural features of the regulatory ACT domain of phenylalanine hydroxylase. PLoS ONE, Public Library of Science vol. 8 (11) 
14-11-2013

Fornili A, Pandini A, Lu H-C and Fraternali F (2013). Specialized dynamical properties of promiscuous residues revealed by simulated conformational ensembles. Journal of Chemical Theory and Computation, American Chemical Society vol. 9 (11), 5127-5147.  
12-11-2013

Pandini A, Fornili A, Fraternali F and Kleinjung J (2013). GSATools: Analysis of allosteric communication and functional local motions using a structural alphabet. Bioinformatics, Oxford Journals vol. 29 (16), 2053-2055.  
15-08-2013

Vavassori S, Cortini M, Masui S, Sannino S, Anelli T, Caserta IR, Fagioli C, Mossuto MF, Fornili A, vanAnken E, Degano M, Inaba K and Sitia R (2013). A pH-Regulated Quality Control Cycle for Surveillance of Secretory Protein Assembly. Molecular Cell, Elsevier/Science Direct vol. 50 (6), 783-792.  
27-06-2013

Chakroun N, Fornili A, Prigent S, Kleinjung J, Dreiss CA, Rezaei H and Fraternali F (2013). Decrypting prion protein conversion into a β-rich conformer by molecular dynamics. Journal of Chemical Theory and Computation, American Chemical Society vol. 9 (5), 2455-2465.  
14-05-2013

Lu H-C, Fornili A and Fraternali F (2013). Protein-Protein interaction networks studies and importance of 3D structure knowledge. Expert Review of Proteomics, Informa Healthcare vol. 10 (6), 511-520.  
01-01-2013

Pandini A, Fornili A, Fraternali F and Kleinjung J (2012). Detection of allosteric signal transmission by information-theoretic analysis of protein dynamics. FASEB Journal, American Societies for Experimental Biology vol. 26 (2), 868-881.  
01-02-2012

Fornili A, Autore F, Chakroun N, Martinez P and Fraternali F (2012). Protein-water interactions in MD simulations: POPS/POPSCOMP solvent accessibility analysis, solvation forces and hydration sites. Methods in Molecular Biology, Springer Verlag vol. 819, 375-392.  
01-01-2012

Fornili A, Pfuhl M and Fraternali F (2012). Intrinsic Dynamics of the Regulatory Light Chain: Implications on Muscle Contraction. 
01-01-2012

Pandini A, Fornili A, Fraternali F and Kleinjung J (2012). Detection of Allosteric Signal Transmission by Information-Theoretic Analysis of Protein Dynamics. 
01-01-2012

Fornili A, Giabbai B, Garau G and Degano M (2010). Energy landscapes associated with macromolecular conformational changes from endpoint structures. Journal of the American Chemical Society, American Chemical Society vol. 132 (49), 17570-17577.  
15-12-2010

Autore F, Pagano B, Fornili A, Rittinger K and Fraternali F (2010). In silico phosphorylation of the autoinhibited form of p47phox: Insights into the mechanism of activation. Biophysical Journal, Elsevier/Science Direct vol. 99 (11), 3716-3725.  
01-12-2010

Pandini A, Fornili A and Kleinjung J (2010). Structural alphabets derived from attractors in conformational space. BMC Bioinformatics, BioMed Central vol. 11 
20-02-2010

Fornili A, Pandini A and Fraternali F (2010). Interface Dynamics In Hub Proteins. 
01-01-2010

Iovane E, Giabbai B, Muzzolini L, Matafora V, Fornili A, Minici C, Giannese F and Degano M (2008). Structural Basis for Substrate Specificity in Group I Nucleoside Hydrolases ,. Biochemistry, American Chemical Society (ACS) vol. 47 (15), 4418-4426.  
25-03-2008

Fornili A, Sironi M and Degano M (2007). Accurate Description of Nitrogenous Base Flexibility in Classical Molecular Dynamics Simulations of Nucleotides Bound to Proteins. The Journal of Physical Chemistry B, American Chemical Society (ACS) vol. 111 (23), 6297-6302.  
18-05-2007

Loos P-F, FORNILI A, Sironi M and Assfeld X (2007). Removing extra frontier parameters in QM/MM methods : a tentative with the Local Self-Consistent Field approach., Editors: NA . Computing Letters, Brill vol. 3 (2), 473-486.  
01-01-2007

Fornili A, Loos P-F, Sironi M and Assfeld X (2006). Frozen core orbitals as an alternative to specific frontier bond potential in hybrid Quantum Mechanics/Molecular Mechanics methods. Chemical Physics Letters, Elsevier vol. 427 (1-3), 236-240.  
01-08-2006

Fornili A, Moreau Y, Sironi M and Assfeld X (2006). On the suitability of strictly localized orbitals for hybrid QM/MM calculations. Journal of Computational Chemistry, Wiley vol. 27 (4), 515-523.  
27-01-2006

Morelli CF, Fornili A, Sironi M, Duri L, Speranza G and Manitto P (2005). Evidence for a Nucleophilic anti‐Attack on the Cleaved C(2)‐Oxygen Bond in Cl2‐AlH‐Catalyzed Ring‐Opening of 2‐Substituted 1,3‐Dioxolanes. ChemInform, Wiley vol. 36 (27), no-no.  
16-06-2005

Genoni A, Fornili A and Sironi M (2005). Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals. Journal of Computational Chemistry, Wiley vol. 26 (8), 827-835.  
06-04-2005

Morelli CF, Fornili A, Sironi M, Durì L, Speranza G and Manitto P (2005). Evidence for a nucleophilic anti-attack on the cleaved C(2)–oxygen bond in Cl2AlH-catalyzed ring-opening of 2-substituted 1,3-dioxolanes. Tetrahedron Letters, Elsevier vol. 46 (11), 1837-1840.  
01-03-2005

Fornili A, Sironi M and Raimondi M (2003). Determination of extremely localized molecular orbitals and their application to quantum mechanics/molecular mechanics methods and to the study of intramolecular hydrogen bonding. Computational and Theoretical Chemistry, Elsevier vol. 632 (1-3), 157-172.  
01-08-2003

Morelli CF, Fornili A, Sironi M, Duri L, Speranza G and Manittoa P (2003). Regio‐ and Diastereoselectivity in TiCl4‐Promoted Reduction of 2‐Aryl‐Substituted cis‐4‐Methyl‐5‐trifluoromethyl‐1,3‐dioxolanes. ChemInform, Wiley vol. 34 (15), no-no.  
21-03-2003

Fornili A, Civera M, Sironi M and Fornili SL (2003). Molecular dynamics simulation of aqueous solutions of trimethylamine-N-oxide and tert-butyl alcohol. Physical Chemistry Chemical Physics, Royal Society of Chemistry (RSC) vol. 5 (21), 4905-4910.  
01-01-2003

Civera M, Fornili A, Sironi M and Fornili SL (2003). Molecular dynamics simulation of aqueous solutions of glycine betaine. Chemical Physics Letters, Elsevier vol. 367 (1-2), 238-244.  
01-01-2003

Morelli CF, Fornili A, Sironi M, Durı̀ L, Speranza G and Manitto P (2002). Regio- and diastereoselectivity in TiCl4-promoted reduction of 2-aryl-substituted cis-4-methyl-5-trifluoromethyl-1,3-dioxolanes. Tetrahedron Asymmetry, Elsevier vol. 13 (23), 2609-2618.  
01-11-2002

FORNILI A (2001). Water interaction with glycine betaine: A hybrid QM/MM molecular dynamics simulation. Physical Chemistry Chemical Physics, Royal Society of Chemistry vol. 3, 1081-1085.  
01-01-2001