A rapidly convergent simulation method: Mixed Monte Carlo/stochastic dynamics
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference21 articles.
1. Free energy difference calculations by thermodynamic integration: Difficulties in obtaining a precise value
2. On the interpretation of biochemical data by molecular dynamics computer simulation
3. Treatment of rotational isomers in free energy evaluations. Analysis of the evaluation of free energy differences by molecular dynamics simulations of systems with rotational isomeric states
4. Treatment of rotational isomers in free energy calculations. II. Molecular dynamics simulation study of 18‐crown‐6 in aqueous solution as an example of systems with large numbers of rotational isomeric states
5. Enantioselective complexation of organic ammonium ions by simple tetracyclic podand ionophores
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