Concepedia

Computer simulation studies of microcrystalline cellulose Iβ

James F. Matthews, Cathy E. Skopec, Philip E. Mason, Pierfrancesco Zuccato, Robert Torget, Junji Sugiyama, Michael E. Himmel, John W. Brady

Carbohydrate Research · 2005 · 393 citations · 56 references

DOI

Concepts

References

56

VMD: Visual molecular dynamics

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

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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

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

, , +13

General definition of ring puckering coordinates

Dieter Cremer, J. A. Pople · Journal of the American Chemical Society · 1975 · 7.2K citations

, , +5

Crystal Structure and Hydrogen-Bonding System in Cellulose Iβ from Synchrotron X-ray and Neutron Fiber Diffraction

Yoshiharu Nishiyama, Paul Langan, Henri Chanzy · Journal of the American Chemical Society · 2002 · 3K citations

, , +17