Literature DB >> 23741196

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).

Dimitri Antoniou1, Steven D Schwartz.   

Abstract

Entities:  

Year:  2011        PMID: 23741196      PMCID: PMC3670703          DOI: 10.1021/jp207463g

Source DB:  PubMed          Journal:  J Phys Chem B        ISSN: 1520-5207            Impact factor:   2.991


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  5 in total

1.  Transition path sampling: throwing ropes over rough mountain passes, in the dark.

Authors:  Peter G Bolhuis; David Chandler; Christoph Dellago; Phillip L Geissler
Journal:  Annu Rev Phys Chem       Date:  2001-10-04       Impact factor: 12.703

2.  Automatic method for identifying reaction coordinates in complex systems.

Authors:  Ao Ma; Aaron R Dinner
Journal:  J Phys Chem B       Date:  2005-04-14       Impact factor: 2.991

3.  Obtaining reaction coordinates by likelihood maximization.

Authors:  Baron Peters; Bernhardt L Trout
Journal:  J Chem Phys       Date:  2006-08-07       Impact factor: 3.488

4.  Extensions to the likelihood maximization approach for finding reaction coordinates.

Authors:  Baron Peters; Gregg T Beckham; Bernhardt L Trout
Journal:  J Chem Phys       Date:  2007-07-21       Impact factor: 3.488

5.  Reaction coordinate of an enzymatic reaction revealed by transition path sampling.

Authors:  Sara L Quaytman; Steven D Schwartz
Journal:  Proc Natl Acad Sci U S A       Date:  2007-07-17       Impact factor: 11.205

  5 in total
  4 in total

1.  Reducing the cost of evaluating the committor by a fitting procedure.

Authors:  Wenjin Li; Ao Ma
Journal:  J Chem Phys       Date:  2015-11-07       Impact factor: 3.488

2.  Recent developments in methods for identifying reaction coordinates.

Authors:  Wenjin Li; Ao Ma
Journal:  Mol Simul       Date:  2014       Impact factor: 2.178

Review 3.  From Data to Knowledge: Systematic Review of Tools for Automatic Analysis of Molecular Dynamics Output.

Authors:  Hanna Baltrukevich; Sabina Podlewska
Journal:  Front Pharmacol       Date:  2022-03-10       Impact factor: 5.810

4.  Quantifying the limits of transition state theory in enzymatic catalysis.

Authors:  Kirill Zinovjev; Iñaki Tuñón
Journal:  Proc Natl Acad Sci U S A       Date:  2017-11-03       Impact factor: 11.205

  4 in total

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