Concepedia

Magnesium-cationic Dummy Atom Molecules Enhance Representation of DNA Polymerase β in Molecular Dynamics Simulations: Improved Accuracy in Studies of Structural Features and Mutational Effects

Peter Oelschlaeger, Marco Klähn, William A. Beard, Samuel H. Wilson, Arieh Warshel

Journal of Molecular Biology · 2006 · 78 citations · 35 references

DOI

Concepts

References

35

VMD: Visual molecular dynamics

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

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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

, , +17

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

Stanislav Miertuš, Eolo Scrocco, J. Tomasi · Chemical Physics · 1981 · 8.9K citations

, , +16

Ion-water interaction potentials derived from free energy perturbation simulations

Johan Åqvist · The Journal of Physical Chemistry · 1990 · 1.6K citations

, , +13

Crystal Structures of Human DNA Polymerase β Complexed with Gapped and Nicked DNA:  Evidence for an Induced Fit Mechanism<sup>,</sup>

M.R. Sawaya, Rajendra Prasad, Samuel H. Wilson et al. · Biochemistry · 1997 · 600 citations

, , +17