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The Journal of Physical Chemistry. B|February 28, 2013
Interaction of Curcumin with PEO-PPO-PEO block copolymers: a molecular dynamics studySusruta Samanta, Danilo Roccatano
Scientific Reports|June 10, 2026
Molecular dynamics and free energy analysis of curcumin binding near the DNA-recognition interface of NF-κBVandana Kumari, Susruta Samanta
The Journal of Physical Chemistry. B|November 14, 2013
Theoretical study of binding and permeation of ether-based polymers through interfacesSusruta Samanta, Samira Hezaveh, Danilo Roccatano
Physical Chemistry Chemical Physics : PCCP|August 27, 2015
Molecular basis of substrate translocation through the outer membrane channel OprD of Pseudomonas aeruginosaSusruta Samanta, Mariano Andrea Scorciapino, Matteo Ceccarelli
The Journal of Physical Chemistry. B|August 19, 2016
Molecular Properties of Astaxanthin in Water/Ethanol Solutions from Computer SimulationsKhadga Jung Karki, Susruta Samanta, Danilo Roccatano
The Journal of Chemical Physics|November 4, 2011
Structure and dynamics of 1,2-dimethoxyethane and 1,2-dimethoxypropane in aqueous and non-aqueous solutions: a molecular dynamics studySamira Hezaveh, Susruta Samanta, Giuseppe Milano, et al.
The Journal of Physical Chemistry. B|March 14, 2012
Diffusion of 1,2-dimethoxyethane and 1,2-dimethoxypropane through phosphatidycholine bilayers: a molecular dynamics studySusruta Samanta, Samira Hezaveh, Giuseppe Milano, et al.
The Journal of Chemical Physics|April 3, 2012
Molecular dynamics simulation study of solvent effects on conformation and dynamics of polyethylene oxide and polypropylene oxide chains in water and in common organic solventsSamira Hezaveh, Susruta Samanta, Giuseppe Milano, et al.
The Journal of Physical Chemistry. B|November 10, 2012
Understanding the interaction of block copolymers with DMPC lipid bilayer using coarse-grained molecular dynamics simulationsSamira Hezaveh, Susruta Samanta, Antonio De Nicola, et al.
The Biochemical Journal|April 6, 2021
Abiological catalysis by myoglobin mutant with a genetically incorporated unnatural amino acidSubhash Chand, Sriparna Ray, Poonam Yadav, et al.
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