| 1 |
Free Energy Profile of Domain Movement in Ligand-Free Citrate Synthase
Roccatano D, Hayward S
Journal of Physical Chemistry B, 123(9), 1998, 2019 |
| 2 |
Iterative key-residues interrogation of a phytase with thermostability increasing substitutions identified in directed evolution
Shivange AV, Roccatano D, Schwaneberg U
Applied Microbiology and Biotechnology, 100(1), 227, 2016 |
| 3 |
Molecular Properties of Astaxanthin in Water/Ethanol Solutions from Computer Simulations
Karki KJ, Samanta S, Roccatano D
Journal of Physical Chemistry B, 120(35), 9322, 2016 |
| 4 |
Spontaneous insertion of carbon nanotube bundles inside biomembranes: A hybrid particle-field coarse-grained molecular dynamics study
Sarukhanyan E, De Nicola A, Roccatano D, Kawakatsu T, Milano G
Chemical Physics Letters, 595, 156, 2014 |
| 5 |
Interaction of Curcumin with PEO-PPO-PEO Block Copolymers: A Molecular Dynamics Study
Samanta S, Roccatano D
Journal of Physical Chemistry B, 117(11), 3250, 2013 |
| 6 |
Theoretical Study of Binding and Permeation of Ether-Based Polymers through Interfaces
Samanta S, Hezaveh S, Roccatano D
Journal of Physical Chemistry B, 117(47), 14723, 2013 |
| 7 |
Directed evolution of a highly active Yersinia mollaretii phytase
Shivange AV, Serwe A, Dennig A, Roccatano D, Haefner S, Schwaneberg U
Applied Microbiology and Biotechnology, 95(2), 405, 2012 |
| 8 |
Structure and Dynamics of Dodecaborate Clusters in Water
Karki K, Gabel D, Roccatano D
Inorganic Chemistry, 51(9), 4894, 2012 |
| 9 |
Diffusion of 1,2-Dimethoxyethane and 1,2-Dimethoxypropane through Phosphatidycholine Bilayers: A Molecular Dynamics Study
Samanta S, Hezaveh S, Milano G, Roccatano D
Journal of Physical Chemistry B, 116(17), 5141, 2012 |
| 10 |
Understanding the Interaction of Block Copolymers with DMPC Lipid Bilayer Using Coarse-Grained Molecular Dynamics Simulations
Hezaveh S, Samanta S, De Nicola A, Milano G, Roccatano D
Journal of Physical Chemistry B, 116(49), 14333, 2012 |
