Concepedia

Understanding the importance of the aromatic amino-acid residues as hot-spots

Irina S. Moreira, João M. Martins, Rui Miguel Ramos, Pedro Alexandrino Fernandes, Maria J. Ramos

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics · 2012 · 45 citations · 57 references

DOI

Concepts

References

57

VMD: Visual molecular dynamics

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

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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

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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

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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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The interpretation of protein structures: Estimation of static accessibility

B. Lee, F.M. Richards · Journal of Molecular Biology · 1971 · 5.9K citations

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