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Page 1
Value of Temporal Information When Analyzing Reaction Coordinates.
J Chem Theory Comput. 2020 Oct 13;16(10):6077-6090. doi: 10.1021/acs.jctc.0c00678. Epub 2020 Sep 8.
J Chem Theory Comput. 2020.
PMID: 32841001
Free PMC article.
Structural distortion in graphitic-C3N4 realizing an efficient photoreactivity.
Wang H, Zhang X, Xie J, Zhang J, Ma P, Pan B, Xie Y.
Wang H, et al. Among authors: ma p.
Nanoscale. 2015 Mar 12;7(12):5152-6. doi: 10.1039/c4nr07645a.
Nanoscale. 2015.
PMID: 25714047
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Calculating Iso-Committor Surfaces as Optimal Reaction Coordinates with Milestoning.
Elber R, Bello-Rivas JM, Ma P, Cardenas AE, Fathizadeh A.
Elber R, et al. Among authors: ma p.
Entropy (Basel). 2017 May;19(5):219. doi: 10.3390/e19050219. Epub 2017 May 11.
Entropy (Basel). 2017.
PMID: 28757794
Free PMC article.
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Probing Translocation in Mutants of the Anthrax Channel: Atomically Detailed Simulations with Milestoning.
Ma P, Cardenas AE, Chaudhari MI, Elber R, Rempe SB.
Ma P, et al.
J Phys Chem B. 2018 Nov 15;122(45):10296-10305. doi: 10.1021/acs.jpcb.8b08304. Epub 2018 Nov 5.
J Phys Chem B. 2018.
PMID: 30338689
Free PMC article.
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The Impact of Protonation on Early Translocation of Anthrax Lethal Factor: Kinetics from Molecular Dynamics Simulations and Milestoning Theory.
Ma P, Cardenas AE, Chaudhari MI, Elber R, Rempe SB.
Ma P, et al.
J Am Chem Soc. 2017 Oct 25;139(42):14837-14840. doi: 10.1021/jacs.7b07419. Epub 2017 Oct 12.
J Am Chem Soc. 2017.
PMID: 29019235
Free PMC article.
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