Concepedia

Pyridine-2,3-dicarboxylate, quinolinic acid, induces 1N4R Tau amyloid aggregation in vitro: Another evidence for the detrimental effect of the inescapable endogenous neurotoxin

Sajjad Esmaeili, Nazanin Ghobadi, Vali Akbari, Sajad Moradi, Mohsen Shahlaie, Sirous Ghobadi, Ali R. Jalalvand, Mojtaba Amani, Reza Khodarahmi‬

Chemico-Biological Interactions · 2019 · 27 citations · 62 references

References

62

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

Natural Sciences, Chemistry, Physics +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

Computing, Computer Science, High-performance Computing +11

Polymorphic transitions in single crystals: A new molecular dynamics method

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

Natural Sciences, Chemistry, Physics +15

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

Natural Sciences, Chemistry, Physics +14

The missing term in effective pair potentials

Herman J. C. Berendsen, J. Raúl Grigera, Tjerk P. Straatsma · The Journal of Physical Chemistry · 1987 · 13.4K citations

Natural Sciences, Chemistry, Analytical Chemistry +9