Structural and dynamical properties of polyethylenimine in explicit water at different protonation states: a molecular dynamics study

A Chemically Accurate Implicit-Solvent Coarse-Grained Model for Polystyrenesulfonate Solutions

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Origin of the Difference in Structural Behavior of Poly(acrylic acid) and Poly(methacrylic acid) in Aqueous Solution Discerned by Explicit-Solvent Explicit-Ion MD Simulations

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Assembly of Polyethyleneimine in the Hexagonal Mesophase of Nonionic Surfactant: Effect of pH and Temperature

(2011) Kamendra P. Sharma et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Equilibrium conformational dynamics in an RNA tetraloop from massively parallel molecular dynamics

(2010) A. J. DePaul et al.   NUCLEIC ACIDS RESEARCH

Understanding the Protonation Behavior of Linear Polyethylenimine in Solutions through Monte Carlo Simulations

(2009) Jesse D. Ziebarth et al.   BIOMACROMOLECULES

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Which is the effective time scale of the fast Debye relaxation process in water?

(2007) Amerigo Beneduci   JOURNAL OF MOLECULAR LIQUIDS