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Volumn 12, Issue 3, 2010, Pages 578-590

Thermodynamic and differential entropy under a change of variables

Author keywords

Canonical transformation; Jacobian; Non Cartesian coordinates; Shannon entropy; Spatial entropy; Thermodynamic entropy

Indexed keywords


EID: 77953512913     PISSN: None     EISSN: 10994300     Source Type: Journal    
DOI: 10.3390/e12030578     Document Type: Article
Times cited : (37)

References (14)
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    • White, H.1
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    • On the use of classical statistical mechanics in the treatment of polymer chain conformation
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    • (1976) Macromolecules , vol.9 , pp. 535-542
    • Go, N.1    Scheraga, H.A.2
  • 7
    • 84946455932 scopus 로고
    • Entropy estimation from simulations of non-diffusive systems
    • Edholm O.; Berendsen, H.J.C. Entropy estimation from simulations of non-diffusive systems. Mol. Phys. 1984, 51, 1011-1028.
    • (1984) Mol. Phys. , vol.51 , pp. 1011-1028
    • Edholm, O.1    Berendsen, H.J.C.2
  • 9
    • 0031058541 scopus 로고    scopus 로고
    • The statistical-thermodynamic basis for computation of binding affinites: A critical review
    • Gilson, M.K.; Given, J.A.; Busch, B.; McCammon, J.A. The statistical-thermodynamic basis for computation of binding affinites: A critical review. Biophys. J. 1997, 72, 1047-1069.
    • (1997) Biophys. J. , vol.72 , pp. 1047-1069
    • Gilson, M.K.1    Given, J.A.2    Busch, B.3    McCammon, J.A.4
  • 10
    • 34547227692 scopus 로고    scopus 로고
    • Extraction of configurational entropy from molecular simulations via an expansion approximation
    • 024107
    • Killian, B.J.; Kravitz, J.Y.; Gilson, M.K. Extraction of configurational entropy from molecular simulations via an expansion approximation. J. Chem. Phys. 2007, 127, 024107.
    • (2007) J. Chem. Phys. , vol.127
    • Killian, B.J.1    Kravitz, J.Y.2    Gilson, M.K.3
  • 11
    • 65549109031 scopus 로고    scopus 로고
    • Configurational entropy in protein-protein binding: Computational study of Tsg101 ubiquitin E2 variant domain with an HIV-derived PTAP nonapeptide
    • Killian, B.J.; Kravitz, J.Y.; Somani, S.; Dasgupta, P.; Pang, Y.P.; Gilson, M.K. Configurational entropy in protein-protein binding: Computational study of Tsg101 ubiquitin E2 variant domain with an HIV-derived PTAP nonapeptide. J. Mol. Biol. 2009, 389, 315-335.
    • (2009) J. Mol. Biol. , vol.389 , pp. 315-335
    • Killian, B.J.1    Kravitz, J.Y.2    Somani, S.3    Dasgupta, P.4    Pang, Y.P.5    Gilson, M.K.6
  • 12
    • 0000127140 scopus 로고
    • Method for estimating the configurational entropy of macromolecules
    • Karplus, M.; Kushick, J.N. Method for estimating the configurational entropy of macromolecules. Macromolecules 1981, 14, 325-332.
    • (1981) Macromolecules , vol.14 , pp. 325-332
    • Karplus, M.1    Kushick, J.N.2
  • 13
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    • General internal motion of molecules, classical and quantum-mechanical Hamiltonian
    • Meyer, R.; Günthard, H.H. General internal motion of molecules, classical and quantum-mechanical Hamiltonian. J. Chem. Phys. 1969, 49, 1510-1520
    • (1969) J. Chem. Phys. , vol.49 , pp. 1510-1520
    • Meyer, R.1    Günthard, H.H.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.