Concepedia

Modulating Aβ aggregation by tyrosol-based ligands: The crucial role of the catechol moiety

Valeria Romanucci, Sara García‐Viñuales, Carmelo Tempra, Roberta Bernini, Armando Zarrelli, Fabio Lolicato, Danilo Milardi, Giovanni Di Fabio

Biophysical Chemistry · 2020 · 27 citations · 33 references

DOI

Concepts

References

33

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

, , +13

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

, , +11

Polymorphic transitions in single crystals: A new molecular dynamics method

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

, , +15

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

Jing Huang, Sarah Rauscher, Grzegorz Nawrocki et al. · Nature Methods · 2016 · 7.6K citations · Full text

, , +12

2016 Alzheimer's disease facts and figures

Alzheimer s & Dementia · 2016 · 5.1K citations

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