Danilo Roccatano
Danilo Roccatano
School of Mathematics and Physics, University of Lincoln, Lincoln, UK
Verified email at - Homepage
Cited by
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Mechanism by which 2, 2, 2-trifluoroethanol/water mixtures stabilize secondary-structure formation in peptides: a molecular dynamics study
D Roccatano, G Colombo, M Fioroni, AE Mark
Proceedings of the National Academy of Sciences 99 (19), 12179-12184, 2002
A statistical analysis of random mutagenesis methods used for directed protein evolution
TS Wong, D Roccatano, M Zacharias, U Schwaneberg
Journal of molecular biology 355 (4), 858-871, 2006
Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation
M Mangoni, D Roccatano, A Di Nola
Proteins: Structure, Function, and Bioinformatics 35 (2), 153-162, 1999
Molecular dynamics simulation of the docking of substrates to proteins
A Di Nola, D Roccatano, HJC Berendsen
Proteins: Structure, Function, and Bioinformatics 19 (3), 174-182, 1994
An extended x‐ray absorption fine structure study of aqueous solutions by employing molecular dynamics simulations
P D’Angelo, A Di Nola, A Filipponi, NV Pavel, D Roccatano
The Journal of chemical physics 100 (2), 985-994, 1994
Extended molecular dynamics simulation of the carbon monoxide migration in sperm whale myoglobin
C Bossa, M Anselmi, D Roccatano, A Amadei, B Vallone, M Brunori, ...
Biophysical journal 86 (6), 3855-3862, 2004
A molecular dynamics study of the 41–56 β-hairpin from B1 domain of protein G
D Roccatano, A Amadei, A Di Nola, HJC Berendsen
Protein science 8 (10), 2130-2143, 1999
A new 2, 2, 2-trifluoroethanol model for molecular dynamics simulations
M Fioroni, K Burger, AE Mark, D Roccatano
The Journal of Physical Chemistry B 104 (51), 12347-12354, 2000
Modular assembly of proteins on nanoparticles
W Ma, A Saccardo, D Roccatano, D Aboagye-Mensah, M Alkaseem, ...
Nature communications 9 (1), 1489, 2018
β‐Hairpin conformation of fibrillogenic peptides: Structure and α‐β transition mechanism revealed by molecular dynamics simulations
I Daidone, F Simona, D Roccatano, RA Broglia, G Tiana, G Colombo, ...
Proteins: Structure, Function, and Bioinformatics 57 (1), 198-204, 2004
A 10-┼ spectroscopic ruler applied to short polyprolines
H Sahoo, D Roccatano, A Hennig, WM Nau
Journal of the American Chemical Society 129 (31), 9762-9772, 2007
Structural flexibility of the nucleosome core particle at atomic resolution studied by molecular dynamics simulation
D Roccatano, A Barthel, M Zacharias
Biopolymers: Original Research on Biomolecules 85 (5‐6), 407-421, 2007
Effect of hexafluoroisopropanol alcohol on the structure of melittin: A molecular dynamics simulation study
D Roccatano, M Fioroni, M Zacharias, G Colombo
Protein Science 14 (10), 2582-2589, 2005
Steering directed protein evolution: strategies to manage combinatorial complexity of mutant libraries
TS Wong, D Roccatano, U Schwaneberg
Environmental microbiology 9 (11), 2645-2659, 2007
Directed evolution of a highly active Yersinia mollaretii phytase
AV Shivange, A Serwe, A Dennig, D Roccatano, S Haefner, ...
Applied microbiology and biotechnology 95, 405-418, 2012
Model of 1, 1, 1, 3, 3, 3-hexafluoro-propan-2-ol for molecular dynamics simulations
M Fioroni, K Burger, AE Mark, D Roccatano
The Journal of Physical Chemistry B 105 (44), 10967-10975, 2001
Understanding the interaction of block copolymers with DMPC lipid bilayer using coarse-grained molecular dynamics simulations
S Hezaveh, S Samanta, A De Nicola, G Milano, D Roccatano
The journal of physical chemistry B 116 (49), 14333-14345, 2012
Molecular dynamics simulation of protein folding by essential dynamics sampling: folding landscape of horse heart cytochrome c
I Daidone, A Amadei, D Roccatano, A Di Nola
Biophysical journal 85 (5), 2865-2871, 2003
Laboratory evolution of P450 BM3 for mediated electron transfer yielding an activity-improved and reductase-independent variant
J Nazor, S Dannenmann, RO Adjei, YB Fordjour, IT Ghampson, ...
Protein Engineering, Design & Selection 21 (1), 29-35, 2008
Distance distributions of short polypeptides recovered by fluorescence resonance energy transfer in the 10 ┼ domain
H Sahoo, D Roccatano, M Zacharias, WM Nau
Journal of the American Chemical Society 128 (25), 8118-8119, 2006
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