Brownian dynamics simulations are not new, but typically programs have been written for specific systems. In this paper, we describe a general-purpose Brownian dynamics program that has been developed at the University of Houston. The program can simulate the diffusion of flexible chains. The rates
β¦ LIBER β¦
Bimolecular Reaction Simulation Using Weighted Ensemble Brownian Dynamics and the University of Houston Brownian Dynamics Program
β Scribed by Rojnuckarin, Atipat; Livesay, Dennis R.; Subramaniam, Shankar
- Book ID
- 118513515
- Publisher
- Biophysical Society
- Year
- 2000
- Tongue
- English
- Weight
- 249 KB
- Volume
- 79
- Category
- Article
- ISSN
- 0006-3495
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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