Free energy calculation on enzyme reactions with an efficient iterative procedure to determine minimum energy paths on a combined ab initio QM/MM potential energy surface
Publication
, Journal Article
Zhang, Y; Liu, H; Yang, W
Published in: J. Chem. Phys.
2000
Duke Scholars
Published In
J. Chem. Phys.
Publication Date
2000
Volume
112
Start / End Page
3483 / 3492
Related Subject Headings
- Chemical Physics
- 51 Physical sciences
- 40 Engineering
- 34 Chemical sciences
- 09 Engineering
- 03 Chemical Sciences
- 02 Physical Sciences
Citation
APA
Chicago
ICMJE
MLA
NLM
Zhang, Y., Liu, H., & Yang, W. (2000). Free energy calculation on enzyme reactions with an efficient iterative procedure to determine minimum energy paths on a combined ab initio QM/MM potential energy surface. J. Chem. Phys., 112, 3483–3492.
Zhang, Yingkai, Haiyan Liu, and Weitao Yang. “Free energy calculation on enzyme reactions with an efficient iterative procedure to determine minimum energy paths on a combined ab initio QM/MM potential energy surface.” J. Chem. Phys. 112 (2000): 3483–92.
Zhang Y, Liu H, Yang W. Free energy calculation on enzyme reactions with an efficient iterative procedure to determine minimum energy paths on a combined ab initio QM/MM potential energy surface. J Chem Phys. 2000;112:3483–92.
Zhang, Yingkai, et al. “Free energy calculation on enzyme reactions with an efficient iterative procedure to determine minimum energy paths on a combined ab initio QM/MM potential energy surface.” J. Chem. Phys., vol. 112, 2000, pp. 3483–92.
Zhang Y, Liu H, Yang W. Free energy calculation on enzyme reactions with an efficient iterative procedure to determine minimum energy paths on a combined ab initio QM/MM potential energy surface. J Chem Phys. 2000;112:3483–3492.
Published In
J. Chem. Phys.
Publication Date
2000
Volume
112
Start / End Page
3483 / 3492
Related Subject Headings
- Chemical Physics
- 51 Physical sciences
- 40 Engineering
- 34 Chemical sciences
- 09 Engineering
- 03 Chemical Sciences
- 02 Physical Sciences