| 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 | 628 | 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 | 212 | 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 | 200 | 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 | 166 | 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 | 162 | 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 | 156 | 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 | 141 | 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 | 123 | 2000 |
| Modular assembly of proteins on nanoparticles W Ma, A Saccardo, D Roccatano, D Aboagye-Mensah, M Alkaseem, ... Nature communications 9 (1), 1489, 2018 | 113 | 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 | 113 | 2004 |
| A 10-Å 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 | 111 | 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 | 111 | 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 | 107 | 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 | 102 | 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 | 95 | 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 | 91 | 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 | 90 | 2012 |
| 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 | 90 | 2008 |
| Sensitive assay for laboratory evolution of hydroxylases toward aromatic and heterocyclic compounds TS Wong, N Wu, D Roccatano, M Zacharias, U Schwaneberg SLAS Discovery 10 (3), 246-252, 2005 | 90 | 2005 |
| 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 | 90 | 2003 |
Martin ZachariasTechnical University of MunichVerified email at tum.de