Scientific Publications of the Institute

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Journal Article (5)

2018
Journal Article
Paul, F.; Noé, F.; Weikl, T. R.: Identifying Conformational-Selection and Induced-Fit Aspects in the Binding-Induced Folding of PMI from Markov State Modeling of Atomistic Simulations. Journal of Physical Chemistry B 122 (21), pp. 5649 - 5656 (2018)
2017
Journal Article
Paul, F.; Wehmeyer, C.; Abualrous, E. T.; Wu, H.; Crabtree, M. D.; Schöneberg, J.; Clarke, J.; Freund, C.; Weikl, T. R.; Noé, F.: Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations. Nature Communications 8, 1095 (2017)
2016
Journal Article
Paul, F.; Weikl, T. R.: How to Distinguish Conformational Selection and Induced Fit Based on Chemical Relaxation Rates. PLoS Computational Biology 12 (9), e1005067 (2016)
2014
Journal Article
Weikl, T. R.; Paul, F.: Conformational selection in protein binding and function. Protein Science 23 (11), pp. 1508 - 1518 (2014)
2013
Journal Article
Perez-Hernandez, G.; Paul, F.; Giorgino, T.; De Fabritiis, G.; Noe, F.: Identification of slow molecular order parameters for Markov model construction. Journal of Chemical Physics 139 (1), 015102 (2013)

Thesis - PhD (1)

2017
Thesis - PhD
Paul, F.: Markov State Modeling of Binding and Conformational Changes of Proteins. Dissertation, 112 pp., Universität Potsdam, Potsdam (2017)
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