Noé F - Search Results

1

Structure prediction of protein-ligand complexes from sequence information with Umol.

Bryant P, Kelkar A, Guljas A, Clementi C, Noé F. Bryant P, et al. Among authors: noe f. Nat Commun. 2024 May 28;15(1):4536. doi: 10.1038/s41467-024-48837-6. Nat Commun. 2024. PMID: 38806453 Free PMC article.

2

Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models.

Plattner N, Noé F. Plattner N, et al. Among authors: noe f. Nat Commun. 2015 Jul 2;6:7653. doi: 10.1038/ncomms8653. Nat Commun. 2015. PMID: 26134632 Free PMC article.

3

Kinetic distance and kinetic maps from molecular dynamics simulation.

Noé F, Clementi C. Noé F, et al. J Chem Theory Comput. 2015 Oct 13;11(10):5002-11. doi: 10.1021/acs.jctc.5b00553. Epub 2015 Sep 11. J Chem Theory Comput. 2015. PMID: 26574285

4

Investigating Molecular Kinetics by Variationally Optimized Diffusion Maps.

Boninsegna L, Gobbo G, Noé F, Clementi C. Boninsegna L, et al. Among authors: noe f. J Chem Theory Comput. 2015 Dec 8;11(12):5947-60. doi: 10.1021/acs.jctc.5b00749. Epub 2015 Nov 18. J Chem Theory Comput. 2015. PMID: 26580713

5

Commute Maps: Separating Slowly Mixing Molecular Configurations for Kinetic Modeling.

Noé F, Banisch R, Clementi C. Noé F, et al. J Chem Theory Comput. 2016 Nov 8;12(11):5620-5630. doi: 10.1021/acs.jctc.6b00762. Epub 2016 Oct 24. J Chem Theory Comput. 2016. PMID: 27696838

6

MHC class II complexes sample intermediate states along the peptide exchange pathway.

Wieczorek M, Sticht J, Stolzenberg S, Günther S, Wehmeyer C, El Habre Z, Álvaro-Benito M, Noé F, Freund C. Wieczorek M, et al. Among authors: noe f. Nat Commun. 2016 Nov 9;7:13224. doi: 10.1038/ncomms13224. Nat Commun. 2016. PMID: 27827392 Free PMC article.

7

Collective variables for the study of long-time kinetics from molecular trajectories: theory and methods.

Noé F, Clementi C. Noé F, et al. Curr Opin Struct Biol. 2017 Apr;43:141-147. doi: 10.1016/j.sbi.2017.02.006. Epub 2017 Mar 17. Curr Opin Struct Biol. 2017. PMID: 28327454 Review.

8

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: noe 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.

9

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. Among authors: noe f. Nat Commun. 2017 Oct 23;8(1):1095. doi: 10.1038/s41467-017-01163-6. Nat Commun. 2017. PMID: 29062047 Free PMC article.

10

VAMPnets for deep learning of molecular kinetics.

Mardt A, Pasquali L, Wu H, Noé F. Mardt A, et al. Among authors: noe f. Nat Commun. 2018 Jan 2;9(1):5. doi: 10.1038/s41467-017-02388-1. Nat Commun. 2018. PMID: 29295994 Free PMC article.

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