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SYMPOSIUM MINISYMPOSIA

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FIRST SOUTHERN SYMPOSIUM ON COMPUTING

December 4-5, 1998
University of Southern Mississippi
Hattiesburg, Mississippi


MINISYMPOSIUM ABSTRACT

Interactions of Nucleic Acid Bases by ab initio Calculations: Recent Results

Jiri Sponer

Structure and dynamics of nucleic acids are significantly influenced by stacking and hydrogen bonding interactions of aromatic nucleic acid bases. High level ab initio calculations carried out since 1994 provided the first physically correct description of these interactions. The following areas will be summarized.

- nature of base stacking interactions.

- interactions of exocyclic groups on nucleic acid bases.

- ability of empirical force fields, semiempirical methods and Density Functional Theory to reproduce the reference data.

- Interactions of metal cations with base pairs.


Getting More Information

To obtain more information about the meeting send e-mail to: fscc98@pax.st.usm.edu.


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