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  • Search: subject:"Bovine pancreatic trypsin inhibitor (BPTI)"
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A protein in water 1 Bovine pancreatic trypsin inhibitor (BPTI) 1 Free energy 1 Harmonic oscillator 1 Partition function 1 Rigid-body motion 1
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Yoshioki, Shuzo 1
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Physica A: Statistical Mechanics and its Applications 1
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Modelling free energy of a rigid protein in solid water: Comparison between rigid-body motions and harmonic oscillators
Yoshioki, Shuzo - In: Physica A: Statistical Mechanics and its Applications 331 (2004) 3, pp. 552-570
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 first method is based on rigid-body motions. The space in which the protein (bovine pancreatic trypsin inhibitor) would be...
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