Concepedia

How endoglucanase enzymes act on cellulose nanofibrils: role of amorphous regions revealed by atomistic simulations

Adam Orłowski, Tomasz Róg, Sami Paavilainen, Moutusi Manna, Isto Heiskanen, Kaj Backfolk, J. Timonen, Ilpo Vattulainen

Cellulose · 2015 · 33 citations · 54 references

DOI

Concepts

References

54

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

, , +12

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

, , +17

Canonical dynamics: Equilibrium phase-space distributions

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

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A smooth particle mesh Ewald method

Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations

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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

, , +15