Molecular Modeling of Complex Chemical Systems
DOI: 10.1021/JA808927H
关键词: Chemistry 、 Molecular model 、 Biochemical engineering 、 Molecular modelling
摘要:
acs.org
sci-hub.se 参考文章(60)
Frank H. Stillinger, Carl W. David, Polarization model for water and its ionic dissociation products Journal of Chemical Physics. ,vol. 69, pp. 1473- 1484 ,(1978) , 10.1063/1.436773
Yi Ping Liu, Da Hong Lu, Angels Gonzalez-Lafont, Donald G. Truhlar, Bruce C. Garrett, Direct dynamics calculation of the kinetic isotope effect for an organic hydrogen-transfer reaction, including corner-cutting tunneling in 21 dimensions Journal of the American Chemical Society. ,vol. 115, pp. 7806- 7817 ,(1993) , 10.1021/JA00070A029
Noriyoshi Arai, Kenji Yasuoka, XC Zeng, None, Self-assembly of surfactants and polymorphic transition in nanotubes. Journal of the American Chemical Society. ,vol. 130, pp. 7916- 7920 ,(2008) , 10.1021/JA7108739
Don L. Bunker, Monte Carlo Calculation of Triatomic Dissociation Rates. I. N2O and O3 Journal of Chemical Physics. ,vol. 37, pp. 393- 403 ,(1962) , 10.1063/1.1701333
Shubhra Ghosh Dastidar, David P. Lane, Chandra S. Verma, Multiple Peptide Conformations Give Rise to Similar Binding Affinities: Molecular Simulations of p53-MDM2 Journal of the American Chemical Society. ,vol. 130, pp. 13514- 13515 ,(2008) , 10.1021/JA804289G
B. Liu, Ab initio potential energy surface for linear H3 The Journal of Chemical Physics. ,vol. 58, pp. 1925- 1937 ,(1973) , 10.1063/1.1679454
J. IIja Siepmann, Sami Karaborni, Berend Smit, Simulating the critical behaviour of complex fluids Nature. ,vol. 365, pp. 330- 332 ,(1993) , 10.1038/365330A0
Michael Levitt, Shneior Lifson, Refinement of protein conformations using a macromolecular energy minimization procedure Journal of Molecular Biology. ,vol. 46, pp. 269- 279 ,(1969) , 10.1016/0022-2836(69)90421-5
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
Russell M. Pitzer, William N. Lipscomb, Calculation of the Barrier to Internal Rotation in Ethane The Journal of Chemical Physics. ,vol. 39, pp. 1995- 2004 ,(1963) , 10.1063/1.1734572