The Kinetics of Ligand Migration in Crystallized Myoglobin as Revealed by Molecular Dynamics Simulations
Anselmi, Massimiliano, Di Nola, Alfredo, Amadei, Andrea
Published in Biophysical journal (01.06.2008)
Published in Biophysical journal (01.06.2008)
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Journal Article
Molecular Dynamics Simulation of Sperm Whale Myoglobin: Effects of Mutations and Trapped CO on the Structure and Dynamics of Cavities
Bossa, Cecilia, Amadei, Andrea, Daidone, Isabella, Anselmi, Massimiliano, Vallone, Beatrice, Brunori, Maurizio, Di Nola, Alfredo
Published in Biophysical journal (01.07.2005)
Published in Biophysical journal (01.07.2005)
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Journal Article
Protein Folding Pathways Revealed by Essential Dynamics Sampling
Narzi, Daniele, Daidone, Isabella, Amadei, Andrea, Di Nola, Alfredo
Published in Journal of chemical theory and computation (11.11.2008)
Published in Journal of chemical theory and computation (11.11.2008)
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Journal Article
Molecular Dynamics Simulations of Lignin Peroxidase in Solution
Francesca Gerini, M., Roccatano, Danilo, Baciocchi, Enrico, Nola, Alfredo Di
Published in Biophysical journal (01.06.2003)
Published in Biophysical journal (01.06.2003)
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Journal Article
Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding
Daidone, Isabella, Ulmschneider, Martin B, Di Nola, Alfredo, Amadei, Andrea, Smith, Jeremy C
Published in Proceedings of the National Academy of Sciences - PNAS (25.09.2007)
Published in Proceedings of the National Academy of Sciences - PNAS (25.09.2007)
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Journal Article
On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations
Amadei, Andrea, Ceruso, Marc A., Di Nola, Alfredo
Published in Proteins, structure, function, and bioinformatics (01.09.1999)
Published in Proteins, structure, function, and bioinformatics (01.09.1999)
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Journal Article
Molecular Dynamics Simulation of Deoxy and Carboxy Murine Neuroglobin in Water
Anselmi, Massimiliano, Brunori, Maurizio, Vallone, Beatrice, Di Nola, Alfredo
Published in Biophysical journal (15.07.2007)
Published in Biophysical journal (15.07.2007)
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Journal Article
Combining crystallography and molecular dynamics: The case of Schistosoma mansoni phospholipid glutathione peroxidase
Dimastrogiovanni, Daniela, Anselmi, Massimiliano, Miele, Adriana Erica, Boumis, Giovanna, Petersson, Linn, Angelucci, Francesco, Nola, Alfredo Di, Brunori, Maurizio, Bellelli, Andrea
Published in Proteins, structure, function, and bioinformatics (01.02.2010)
Published in Proteins, structure, function, and bioinformatics (01.02.2010)
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Journal Article
Extended Molecular Dynamics Simulation of the Carbon Monoxide Migration in Sperm Whale Myoglobin
Bossa, Cecilia, Anselmi, Massimiliano, Roccatano, Danilo, Amadei, Andrea, Vallone, Beatrice, Brunori, Maurizio, Di Nola, Alfredo
Published in Biophysical journal (01.06.2004)
Published in Biophysical journal (01.06.2004)
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Journal Article
Structure of the lipodepsipeptide syringomycin E in phospholipids and sodium dodecylsulphate micelle studied by circular dichroism, NMR spectroscopy and molecular dynamics
Anselmi, Massimiliano, Eliseo, Tommaso, Zanetti-Polzi, Laura, Fullone, Maria Rosaria, Fogliano, Vincenzo, Di Nola, Alfredo, Paci, Maurizio, Grgurina, Ingeborg
Published in Biochimica et biophysica acta (01.09.2011)
Published in Biochimica et biophysica acta (01.09.2011)
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Journal Article
Molecular dynamics simulation of the aggregation of the core-recognition motif of the islet amyloid polypeptide in explicit water
Colombo, Giorgio, Daidone, Isabella, Gazit, Ehud, Amadei, Andrea, Di Nola, Alfredo
Published in Proteins, structure, function, and bioinformatics (15.05.2005)
Published in Proteins, structure, function, and bioinformatics (15.05.2005)
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Journal Article
Evaluating Tilt Angles of Membrane-Associated Helices: Comparison of Computational and NMR Techniques
Ulmschneider, Martin B., Sansom, Mark S.P., Di Nola, Alfredo
Published in Biophysical journal (01.03.2006)
Published in Biophysical journal (01.03.2006)
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