Concepedia

Use of QM/MM scheme to reproduce macromolecule–small molecule noncovalent binding energy

Xinchun Guo, Deyong He, Limin Liu, Limin Liu, Ren‐Yun Kuang, Lijun Liu, Lijun Liu

Computational and Theoretical Chemistry · 2012 · 30 citations · 41 references

DOI

Concepts

References

41

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

The Protein Data Bank

Helen M. Berman · Nucleic Acids Research · 2000 · 39.8K citations

, , +10

Development and testing of a general amber force field

Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations

, , +17

Note on an Approximation Treatment for Many-Electron Systems

CHR. KN. MØLLER, M. S. Plesset · Physical Review · 1934 · 14.6K citations

, , +11