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...