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Volumn 102, Issue 3, 1998, Pages 580-586

Quantum dynamic of proton transfer processes in enzymatic reactions, simulations of phospholipase A2

Author keywords

Chemical kinetics; Methods and systems; Molecular interactions; Quantum mechanics; Wave functions

Indexed keywords


EID: 0000185320     PISSN: 0940483X     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (12)

References (31)
  • 2
    • 33646928931 scopus 로고
    • Elsevier Scientific Pub., Amsterdam New York
    • C.H. Bamtbrd, Proton transfer. Elsevier Scientific Pub., Amsterdam New York 1978.
    • (1978) Proton Transfer
    • Bamtbrd, C.H.1
  • 20
    • 33646928627 scopus 로고    scopus 로고
    • San Diego, Dmol. Density Functional Package
    • USA Biosym Technologies, San Diego, Dmol. Density Functional Package.
    • USA Biosym Technologies
  • 21
    • 0345711788 scopus 로고    scopus 로고
    • Quantum-classical molecular dynamics. Models and applications
    • cd. by M. Field, Springer, Berlin Heidelberg and Les Editions de Physique Les Ulis
    • P. Bała, P. Grochowski, B. Lesyng, and J.A. McCammon, Quantum-classical molecular dynamics. Models and applications, in: Quantum Mechanical Simulations Methods for Studying Biological Systems, pp. 115-196, cd. by M. Field, Springer, Berlin Heidelberg and Les Editions de Physique Les Ulis, 1996.
    • (1996) Quantum Mechanical Simulations Methods for Studying Biological Systems , pp. 115-196
    • Bała, P.1    Grochowski, P.2    Lesyng, B.3    McCammon, J.A.4
  • 23
    • 0005605644 scopus 로고
    • Ab initio studies and quantum - Classical molecular dynamics for proton transfer in model systems and in enzymes
    • ed. by J. Bertran, NATO ANSI Series, Kuisweir Press
    • P. Bała, B. Lesyng, T.N. Taiong, and J.A. McCammon, Ab initio studies and quantum - classical molecular dynamics for proton transfer in model systems and in enzymes. In: The Role of Computational Models and Theories in Biotechnology, pp. 299-326, ed. by J. Bertran, NATO ANSI Series, Kuisweir Press, 1992.
    • (1992) The Role of Computational Models and Theories in Biotechnology , pp. 299-326
    • Bała, P.1    Lesyng, B.2    Taiong, T.N.3    McCammon, J.A.4
  • 28
    • 0007131534 scopus 로고    scopus 로고
    • Parallel version of the combined quantum classical molecular dynamics code for complex molecular and biomolecular systems
    • ed. by M. Bubak, J. Dongarra, and J. Wasniewski, Lecture Notes in Computer Science 1332; Springer, Berlin Heidelberg
    • P. Bała, T. Clark, P. Grochowski, B. Lesyng, and J.A. McCammon, Parallel version of the combined quantum classical molecular dynamics code for complex molecular and biomolecular systems. In: Recent Advances in Parallel Virtual Machine and Message Passing Interface, pp. 409-416, ed. by M. Bubak, J. Dongarra, and J. Wasniewski, Lecture Notes in Computer Science 1332; Springer, Berlin Heidelberg, 1997.
    • (1997) Recent Advances in Parallel Virtual Machine and Message Passing Interface , pp. 409-416
    • Bała, P.1    Clark, T.2    Grochowski, P.3    Lesyng, B.4    McCammon, J.A.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.