Paul F - Search Results

1

Conformational selection in protein binding and function.

Weikl TR, Paul F. Weikl TR, et al. Among authors: paul f. Protein Sci. 2014 Nov;23(11):1508-18. doi: 10.1002/pro.2539. Epub 2014 Sep 6. Protein Sci. 2014. PMID: 25155241 Free PMC article. Review.

2

How to Distinguish Conformational Selection and Induced Fit Based on Chemical Relaxation Rates.

Paul F, Weikl TR. Paul F, et al. PLoS Comput Biol. 2016 Sep 16;12(9):e1005067. doi: 10.1371/journal.pcbi.1005067. eCollection 2016 Sep. PLoS Comput Biol. 2016. PMID: 27636092 Free PMC article.

3

Identifying Conformational-Selection and Induced-Fit Aspects in the Binding-Induced Folding of PMI from Markov State Modeling of Atomistic Simulations.

Paul F, Noé F, Weikl TR. Paul F, et al. J Phys Chem B. 2018 May 31;122(21):5649-5656. doi: 10.1021/acs.jpcb.7b12146. Epub 2018 Mar 27. J Phys Chem B. 2018. PMID: 29522679

4

Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations.

Paul F, Wehmeyer C, Abualrous ET, Wu H, Crabtree MD, Schöneberg J, Clarke J, Freund C, Weikl TR, Noé F. Paul F, et al. Nat Commun. 2017 Oct 23;8(1):1095. doi: 10.1038/s41467-017-01163-6. Nat Commun. 2017. PMID: 29062047 Free PMC article.

5

Author Correction: Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations.

Paul F, Wehmeyer C, Abualrous ET, Wu H, Crabtree MD, Schöneberg J, Clarke J, Freund C, Weikl TR, Noé F. Paul F, et al. Nat Commun. 2018 Mar 9;9(1):1073. doi: 10.1038/s41467-018-03452-0. Nat Commun. 2018. PMID: 29523780 Free PMC article.

6

Multiensemble Markov models of molecular thermodynamics and kinetics.

Wu H, Paul F, Wehmeyer C, Noé F. Wu H, et al. Among authors: paul f. Proc Natl Acad Sci U S A. 2016 Jun 7;113(23):E3221-30. doi: 10.1073/pnas.1525092113. Epub 2016 May 25. Proc Natl Acad Sci U S A. 2016. PMID: 27226302 Free PMC article.

7

Combining experimental and simulation data of molecular processes via augmented Markov models.

Olsson S, Wu H, Paul F, Clementi C, Noé F. Olsson S, et al. Among authors: paul f. Proc Natl Acad Sci U S A. 2017 Aug 1;114(31):8265-8270. doi: 10.1073/pnas.1704803114. Epub 2017 Jul 17. Proc Natl Acad Sci U S A. 2017. PMID: 28716931 Free PMC article.

8

Predicting the Kinetics of RNA Oligonucleotides Using Markov State Models.

Pinamonti G, Zhao J, Condon DE, Paul F, Noè F, Turner DH, Bussi G. Pinamonti G, et al. Among authors: paul f. J Chem Theory Comput. 2017 Feb 14;13(2):926-934. doi: 10.1021/acs.jctc.6b00982. Epub 2017 Jan 5. J Chem Theory Comput. 2017. PMID: 28001394 Free PMC article.

9

Variational selection of features for molecular kinetics.

Scherer MK, Husic BE, Hoffmann M, Paul F, Wu H, Noé F. Scherer MK, et al. Among authors: paul f. J Chem Phys. 2019 May 21;150(19):194108. doi: 10.1063/1.5083040. J Chem Phys. 2019. PMID: 31117766

10

Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations.

Wu H, Nüske F, Paul F, Klus S, Koltai P, Noé F. Wu H, et al. Among authors: paul f. J Chem Phys. 2017 Apr 21;146(15):154104. doi: 10.1063/1.4979344. J Chem Phys. 2017. PMID: 28433026

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