Concepedia

Conformational changes of small molecules binding to proteins

Marc C. Nicklaus, Shaomeng Wang, John S. Driscoll, G. W. A. Milne

Bioorganic & Medicinal Chemistry · 1995 · 230 citations · 34 references

DOI

Concepts

References

34

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

, , +13

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy et al. · Journal of the American Chemical Society · 1985 · 13.1K citations

, , +10

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

Optimization of parameters for semiempirical methods I. Method

James J. P. Stewart · Journal of Computational Chemistry · 1989 · 7.6K citations

, , +4

Hydrogen bonding in biological structures

International Journal of Biochemistry · 1992 · 2.4K citations

, , +14