Concepedia

The investigation of the association of caffeine and actinocin derivatives in aqueous solution: A molecular dynamics simulation

Anna V. Shestopalova

Journal of Molecular Liquids · 2006 · 14 citations · 18 references

DOI

Concepts

References

18

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

, , +17

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations

, , +17

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations

, , +17

A new method for the estimation of partition coefficient

Nicholas Bodor, Zoltan Gabanyi, Chu Kuok Wong · Journal of the American Chemical Society · 1989 · 407 citations

, , +5

Induction of apoptosis by caffeine is mediated by the p53, Bax, and caspase 3 pathways.

Zhiwei He, Wei Ya, Takashi Hashimoto et al. · PubMed · 2003 · 152 citations

, , +17