Concepedia

The inclusion of electrostatic hydration energies in molecular mechanics calculations

Michael K. Gilson, Barry Honig

Journal of Computer-Aided Molecular Design · 1991 · 117 citations · 20 references

DOI

Concepts

References

20

The protein data bank: A computer-based archival file for macromolecular structures

F. C. Bernstein, Thomas F. Koetzle, G. J. B. Williams et al. · Journal of Molecular Biology · 1977 · 8.6K citations

, , +14

Solvent-Accessible Surfaces of Proteins and Nucleic Acids

Michael L. Connolly · Science · 1983 · 2.7K citations

, , +17

Hydrogen bonding and biological specificity analysed by protein engineering

Alan R. Fersht, Jianping Shi, J.W. Knill-Jones et al. · Nature · 1985 · 1.1K citations

, , +16

Calculation of the total electrostatic energy of a macromolecular system: Solvation energies, binding energies, and conformational analysis

Michael K. Gilson, Barry Honig · Proteins Structure Function and Bioinformatics · 1988 · 853 citations

, , +17

Focusing of electric fields in the active site of Cu‐Zn superoxide dismutase: Effects of ionic strength and amino‐acid modification

Isaac Klapper, R. Hagstrom, Richard Fine et al. · Proteins Structure Function and Bioinformatics · 1986 · 759 citations

, , +15