Concepedia

Subdomain dynamics enable chemical chain reactions in non-ribosomal peptide synthetases

Xun Sun, Jonas Alfermann, Hao Li, Maxwell B. Watkins, Yi-Tsao Chen, Thomas E. Morrell, Florian Mayerthaler, Chia-Ying Wang, Tamiki Komatsuzaki, Jhih‐Wei Chu,

Nature Chemistry · 2023 · 11 citations · 52 references

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52

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

Canonical dynamics: Equilibrium phase-space distributions

William G. Hoover · Physical review. A, General physics · 1985 · 23.3K citations

, , +14

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.5K citations

, , +11

Canonical sampling through velocity rescaling

Giovanni Bussi, Davide Donadio, Michele Parrinello · The Journal of Chemical Physics · 2007 · 18.4K citations · Full text

, , +17

Bootstrap Methods: Another Look at the Jackknife

B. Efron · The Annals of Statistics · 1979 · 17.4K citations · Full text

, , +15