As a first step toward developing simulation models for studying the indirect mechanism of radiation damage to DNAs, we have carried out Brownian dynamics simulations to study the reactions of hydrated electrons Ε½ . Ε½ . with a 12-base-pair B-DNA, dA dT , and with bases, monodeoxynucleo-12 12
β¦ LIBER β¦
Brownian Dynamics of Segmented Biopolymers: A Formal Theory and Numerical Simulations
β Scribed by Stine Nalum Naess; Arnljot Elgsaeter
- Publisher
- John Wiley and Sons
- Year
- 2002
- Tongue
- English
- Weight
- 323 KB
- Volume
- 11
- Category
- Article
- ISSN
- 1022-1344
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β¦ Synopsis
Simulation results for the two-needle chain. (}): F F ΓΓ°m;gΓ m 0 and A = 1. (): F F ΓΓ°m;gΓ m 0 and A = 1.5. (F): F F ΓΓ°m;gΓ ΒΌ 0. The solid lines are the analytical result given by Equation ( ).
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Rapid binding of a cationic active site
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It is known that anionic surface residues play a role in the long-range electrostatic attraction between acetylcholinesterase and cationic ligands. In our current investigation, we show that anionic residues also play an important role in the behavior of the ligand within the active site gorge of ac