Although Monte Carlo and molecular dynamics are the primary methods used for free energy simulations of molecular systems, their application to molecules that have multiple conformations separated by energy barriers of 2 3 kcal/mol is problematic because of slow rates of convergence. In this article
Theory and algorithms for mixed Monte Carlo-stochastic dynamics simulations
β Scribed by Frank Guarnieri
- Publisher
- Springer
- Year
- 1995
- Tongue
- English
- Weight
- 676 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0259-9791
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