Computer simulation of the solvent structure around biological macromolecules
- 1 March 1978
- journal article
- research article
- Published by Springer Nature in Nature
- Vol. 272 (5650) , 222-226
- https://doi.org/10.1038/272222a0
Abstract
The structure and energetics of the solvent, both ordered and disordered, in a small peptide crystal and in the triclinic lysozyme crystal were simulated using the Monte Carlo method. The results are in good agreement with the experimental data and provide insight into the role of solvent structure around biological macromolecules in solution.This publication has 22 references indexed in Scilit:
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