Journal articles
- Getting Drugs through Small Pores: Exploiting the Porins Pathway in Pseudomonas aeruginosa
S. Samanta, I. Bodrenko, S. Acosta-Gutiérrez, T. D’Agostino, M. Pathania, I. Ghai, C. Schleberger, D. Bumann, R. Wagner, M. Winterhalter, B. van den Berg, M. Ceccarelli*
ACS Infectious Diseases, 2018, 4, 1519.
- Rationalizing the permeation of polar antibiotics into Gram-negative bacteria
M. A. Scorciapino, S. Acosta-Gutierrez, D. Benkerrou, T. D'Agostino,G. Malloci, S. Samanta, I. Bodrenko, M. Ceccarelli*
Journal of Physics: Condensed Matter, 2017, 29, 113001.
Molecular Properties of Astaxanthin in Water/Ethanol Solutions from Computer Simulations
K. J. Karki, S. Samanta, D. Roccatano*
Journal of Physical Chemistry B, 2016, 120, 9322.
- Molecular basis of substrate translocation through outer membrane channel OprD of Pseudomonas aeruginosa
S. Samanta, M. A. Scorciapino, M. Ceccarelli*
Physical Chemistry Chemical Physics, 2015, 17, 23867. - Theoretical Study of Binding and Percolation of Polyether Based Polymers through Interfaces.
S. Samanta, S. Hezaveh & D. Roccatano*
Journal of Physical Chemistry B, 2013, 117, 14723. - Interaction of Curcumin with PEO-PPO-PEO Triblock Copolymers: A Molecular Dynamics Study.
S. Samanta & D. Roccatano*
Journal of Physical Chemistry B, 2013, 117, 3250. - Understanding the Interaction of Block Copolymers with DMPC Lipid Bilayer using Coarse-Grained Molecular Dynamic Simulations
S. Hezaveh, S. Samanta, A. De Nicola, G. Milano* & D. Roccatano*
Journal of Physical Chemistry B, 2012, 116, 14333. - Molecular Dynamics Simulation Study of Solvent Effects on Conformation and Dynamics of Polyethylene Oxide and Polypropylene Oxide Chains in Water and in Common Organic Solvents
S. Hezaveh, S. Samanta, G. Milano & D. Roccatano*
Journal of Chemical Physics, 2012, 136, 124901. - Diffusion of 1,2-dimethoxyethane and 1,2-dimethoxypropane Through Phosphatidycholine Bilayers: A Molecular Dynamics Study
S. Samanta, S. Hezaveh, G. Milano & D. Roccatano*
Journal of Physical Chemistry B, 2012, 116, 5141.
(Cover page article), Correction - Structure and Dynamics of 1,2-dimethoxyethane and 1,2-dimethoxypropane in Aqueous and Non-aqueous Solutions: A Molecular Dynamics Study
S. Hezaveh†, S. Samanta†, G. Milano & D. Roccatano*
Journal of Chemical Physics, 2011, 135, 164501.
(Cover page article), †Authors contributed equally