Concepedia

A conformational transition in the adenylyl cyclase catalytic site yields different binding modes for ribosyl-modified and unmodified nucleotide inhibitors

Jenna L. Wang, Qiyuan Zhang, Jay J.-Q. Wu, Roland Seifert, Gerald H. Lushington

Bioorganic & Medicinal Chemistry · 2007 · 14 citations · 24 references

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References

24

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.8K citations

, , +17

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Johann Gasteiger, Mario Marsili · Tetrahedron · 1980 · 4.1K citations

, , +10

An all atom force field for simulations of proteins and nucleic acids

Scott J. Weiner, Peter A. Kollman, Dzung T. Nguyen et al. · Journal of Computational Chemistry · 1986 · 3.4K citations

, , +17

Validation of the general purpose tripos 5.2 force field

Matthew Clark, Richard D. Cramer, N. Van Opdenbosch · Journal of Computational Chemistry · 1989 · 2.8K citations

, , +17

MMFF VI. MMFF94s option for energy minimization studies

Thomas A. Halgren · Journal of Computational Chemistry · 1999 · 1.2K citations

, , +14