Response to Comment on "Towards identification of the reaction coordinate directly from the transition state ensemble using the kernel PCA method" by D. Antoniou and S. Schwartz, J. Phys. Chem. B. 115, 2465-2469 (2011).
作者信息
Antoniou Dimitri, Schwartz Steven D
机构信息
Department of Biophysics, Albert Einstein College of Medicine, Bronx, NY.
出版信息
J Phys Chem B. 2011 Nov 3;115(43):12674-12675. doi: 10.1021/jp207463g.
Abstract
摘要
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Response to Comment on "Towards identification of the reaction coordinate directly from the transition state ensemble using the kernel PCA method" by D. Antoniou and S. Schwartz, J. Phys. Chem. B. 115, 2465-2469 (2011).对D. 安托尼乌和S. 施瓦茨发表于《物理化学杂志B》115卷，2465 - 2469页（2011年）的“利用核主成分分析方法直接从过渡态系综中识别反应坐标”一文评论的回应
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本文引用的文献
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Extensions to the likelihood maximization approach for finding reaction coordinates.用于寻找反应坐标的似然最大化方法的扩展
J Chem Phys. 2007 Jul 21;127(3):034109. doi: 10.1063/1.2748396.
2
Reaction coordinate of an enzymatic reaction revealed by transition path sampling.通过过渡路径采样揭示的酶促反应的反应坐标。
Proc Natl Acad Sci U S A. 2007 Jul 24;104(30):12253-8. doi: 10.1073/pnas.0704304104. Epub 2007 Jul 17.
3
Obtaining reaction coordinates by likelihood maximization.通过似然最大化获取反应坐标。
J Chem Phys. 2006 Aug 7;125(5):054108. doi: 10.1063/1.2234477.
4
Automatic method for identifying reaction coordinates in complex systems.复杂系统中反应坐标识别的自动方法。
J Phys Chem B. 2005 Apr 14;109(14):6769-79. doi: 10.1021/jp045546c.
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Transition path sampling: throwing ropes over rough mountain passes, in the dark.过渡路径采样：在黑暗中越过崎岖山口抛绳索。
Annu Rev Phys Chem. 2002;53:291-318. doi: 10.1146/annurev.physchem.53.082301.113146. Epub 2001 Oct 4.
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