Concepedia

QM/MM study of electron addition on protein disulfide bonds

Jacqueline Bergès, Geoffrey K. Rickards, Arvi Rauk, Chantal Houée‐Levin

Chemical Physics Letters · 2006 · 26 citations · 19 references

DOI

Concepts

References

19

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé, C. J. Casewit, K. S. Colwell et al. · Journal of the American Chemical Society · 1992 · 10.4K citations

, , +14

IMOMM: A new integrated <i>ab initio</i> + molecular mechanics geometry optimization scheme of equilibrium structures and transition states

Feliu Maseras, Keiji Morokuma · Journal of Computational Chemistry · 1995 · 1.7K citations

, , +13

On the application of the IMOMO (integrated molecular orbital + molecular orbital) method

Thom Vreven, Keiji Morokuma · Journal of Computational Chemistry · 2000 · 558 citations

, , +9

Specific chemical and structural damage to proteins produced by synchrotron radiation

Martin H. Weik, Raimond B. G. Ravelli, Gitay Kryger et al. · Proceedings of the National Academy of Sciences · 2000 · 448 citations

, , +17

A Systematic Failing of Current Density Functionals:  Overestimation of Two-Center Three-Electron Bonding Energies

Philippe C. Hiberty, Andreas Savin · The Journal of Physical Chemistry A · 1998 · 247 citations · Full text

, , +17