| 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 | 64 | 2012 |
| Interaction of Curcumin with PEO-PPO-PEO Triblock Copolymers: A Molecular Dynamics Study S Samanta, D Roccatano The Journal of Physical Chemistry B 117 (11), 3250–3257, 2013 | 52 | 2013 |
| 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 The Journal of Chemical Physics 136 (12), 124901, 2012 | 42 | 2012 |
| 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 The Journal of Chemical Physics 135 (16), 164501, 2011 | 38 | 2011 |
| Diffusion of 1, 2-dimethoxyethane and 1, 2-dimethoxypropane through Phosphatidycholine Bilayers: A Molecular Dynamics Study S Samanta, S Hezaveh, G Milano, D Roccatano The Journal of Physical Chemistry B 116 (17), 5141–5151, 2012 | 28 | 2012 |
| Rationalizing the permeation of polar antibiotics into Gram-negative bacteria MA Scorciapino, S Acosta-Gutierrez, D Benkerrou, T D’Agostino, ... Journal of Physics: Condensed Matter 29 (11), 113001, 2017 | 22 | 2017 |
| Molecular basis of substrate translocation through the outer membrane channel OprD of Pseudomonas aeruginosa S Samanta, MA Scorciapino, M Ceccarelli Physical Chemistry Chemical Physics 17 (37), 23867-23876, 2015 | 21 | 2015 |
| Theoretical Study of Binding and Permeation of Ether Based Polymers through Interfaces. S Samanta, S Hezaveh, D Roccatano The Journal of Physical Chemistry B 117 (47), 14723-14731, 2013 | 15 | 2013 |
| Molecular properties of astaxanthin in water/Ethanol solutions from computer simulations KJ Karki, S Samanta, D Roccatano The Journal of Physical Chemistry B 120 (35), 9322-9328, 2016 | 5 | 2016 |
| Getting Drugs through Small Pores: Exploiting the Porins Pathway in Pseudomonas aeruginosa S Samanta, I Bodrenko, S Acosta-Gutiérrez, T D’Agostino, M Pathania, ... ACS infectious diseases 4 (10), 1519-1528, 2018 | 4 | 2018 |
| How to Get Large Drugs through Small Pores? Exploiting the Porins Pathway in Pseudomonas Aeruginosa S Samanta, T D'Agostino, I Ghai, M Pathania, SA Gutierrez, ... Biophysical Journal (Conference Proceedings) 112 (3), 416a, 2017 | 2 | 2017 |
| Towards In-Silica Screening of Molecule Permeation through Outer Membrane Channels in Gramm-Negative Bacteria IV Bodrenko, S Acosta-Gutierrez, T D’Agostino, S Salis, S Samanta, ... Biophysical Journal (Conference Proceedings) 112 (3), 291a, 2017 | | 2017 |
| Understanding permeation of antibiotics through porins in Gram-negative bacteria using MD simulations and SAR I Bodrenko, SA Gutierrez, D Benkerrou, T D'Agostino, G Malloci, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015 | | 2015 |
| Transport of Antibiotics through the Substrate Specific OprD Channel of Pseudomonas Aeruginosa S Samanta, M Ceccarelli Biophysical Journal (Conference Proceedings) 106 (2), 338a, 2014 | | 2014 |
| Theoretical Study of the Interaction of Amphiphilic Block Co-Polymers with Biological Interfaces and Small Molecules S Samanta Doctoral thesis, 2012 | | 2012 |
Danilo RoccatanoSchool of Mathematics and Physics, University of Lincoln, Lincoln, UKVerified email at lincoln.ac.uk
