Concepedia

Origin of Mechanical Strength of Bovine Carbonic Anhydrase Studied by Molecular Dynamics Simulation

Mohammad Taufiq Alam, Hideo Arakawa, Atsushi Ikai

Biophysical Journal · 2004 · 49 citations · 36 references

DOIFull text

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Concepts

References

36

VMD: Visual molecular dynamics

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

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Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

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MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures

P. Kraulis · Journal of Applied Crystallography · 1991 · 14.1K citations · Full text

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations

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How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?

Junmei Wang, Piotr Cieplak, Peter A. Kollman · Journal of Computational Chemistry · 2000 · 4K citations

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