Concepedia

The effects of solvent composition on the affinity of a peptide towards hair keratin: experimental and molecular dynamics data

Egipto Antunes, Célia F. Cruz, Nuno G. Azóia, Artur Cavaco‐Paulo

RSC Advances · 2015 · 23 citations · 28 references

DOIFull text

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Concepts

Abstract

Molecular dynamics simulations with a developed hair protofibril model demonstrated the ability to improve peptide uptake by hair shafts.

References

28

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

, , +17

LINCS: A linear constraint solver for molecular simulations

Berk Hess, Henk Bekker, Herman J. C. Berendsen et al. · Journal of Computational Chemistry · 1997 · 17.1K citations

, , +14

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

Berk Hess, Carsten Kutzner, David van der Spoel et al. · Journal of Chemical Theory and Computation · 2008 · 16K citations · Full text

, , +17

The MARTINI Force Field:  Coarse Grained Model for Biomolecular Simulations

‪Siewert J. Marrink, Herre Jelger Risselada, S. Yefimov et al. · The Journal of Physical Chemistry B · 2007 · 5.7K citations · Full text

, , +17

An Improved United Atom Force Field for Simulation of Mixed Lipid Bilayers

See-Wing Chiu, Sagar Pandit, H. L. Scott et al. · The Journal of Physical Chemistry B · 2009 · 297 citations

, , +17