A generalized born implicit-membrane representation compared to experimental insertion free energies.
An implicit-membrane representation based on the generalized Born theory of solvation has been developed. The method was parameterized against the water-to-cyclohexane insertion free energies of hydrophobic side-chain analogs. Subsequently, the membrane was compared with experimental data from trans...
Main Authors: | Ulmschneider, M, Ulmschneider, J, Sansom, MS, Di Nola, A |
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Format: | Journal article |
Language: | English |
Published: |
2007
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