Concepedia

Replica exchange molecular dynamics study of the amyloid beta (11–40) trimer penetrating a membrane

Sơn Tùng Ngô, Huynh Minh Hung, Khoa Nhat Tran, Minh Tho Nguyen

RSC Advances · 2017 · 41 citations · 84 references

DOIFull text

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Concepts

Abstract

The transmembrane Aβ<sub>11–40</sub> trimer is investigated for the first time using REMD and FEP.

References

84

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

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GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

M Abraham, Teemu J. Murtola, Roland Schulz et al. · SoftwareX · 2015 · 26.8K citations · Full text

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Polymorphic transitions in single crystals: A new molecular dynamics method

Michele Parrinello, A. Rahman · Journal of Applied Physics · 1981 · 20.2K citations

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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

Replica-exchange molecular dynamics method for protein folding

Yuji Sugita, Yuko Okamoto · Chemical Physics Letters · 1999 · 4.6K citations

, , +13