Modelling free energy of a rigid protein
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Shuzo Yoshioki
📂
Article
📅
2004
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Elsevier Science
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English
⚖ 441 KB
We test two methods to estimate a partition function of a system consisting of multi-atom molecules with intermolecular interaction. Our test case is a protein in water. The ÿrst method is based on rigid-body motions. The space in which the protein (bovine pancreatic trypsin inhibitor) would be movi