Noé F - Search Results

1

Dynamic neutron scattering from conformational dynamics. I. Theory and Markov models.

Lindner B, Yi Z, Prinz JH, Smith JC, Noé F. Lindner B, et al. Among authors: noe f. J Chem Phys. 2013 Nov 7;139(17):175101. doi: 10.1063/1.4824070. J Chem Phys. 2013. PMID: 24206334

For this, a conformational dynamics theory of dynamical neutron and X-ray scattering is developed, following our previous approach for computing dynamical fingerprints of time-correlation functions [F. Noe, S. Doose, I. Daidone, M. Lollmann, J. Chodera, M. Sauer, an …

For this, a conformational dynamics theory of dynamical neutron and X-ray scattering is developed, following our previous approach for compu …

2

Computational tools for analysing structural changes in proteins in solution.

Noé F, Schwarzl SM, Fischer S, Smith JC. Noé F, et al. Appl Bioinformatics. 2003;2(3 Suppl):S11-7. Appl Bioinformatics. 2003. PMID: 15130811

3

Automated computation of low-energy pathways for complex rearrangements in proteins: application to the conformational switch of Ras p21.

Noé F, Ille F, Smith JC, Fischer S. Noé F, et al. Proteins. 2005 May 15;59(3):534-44. doi: 10.1002/prot.20422. Proteins. 2005. PMID: 15778967

4

Hierarchical analysis of conformational dynamics in biomolecules: transition networks of metastable states.

Noé F, Horenko I, Schütte C, Smith JC. Noé F, et al. J Chem Phys. 2007 Apr 21;126(15):155102. doi: 10.1063/1.2714539. J Chem Phys. 2007. PMID: 17461666

5

Probability distributions of molecular observables computed from Markov models.

Noé F. Noé F. J Chem Phys. 2008 Jun 28;128(24):244103. doi: 10.1063/1.2916718. J Chem Phys. 2008. PMID: 18601313

6

Solvent electrostriction-driven peptide folding revealed by quasi-Gaussian entropy theory and molecular dynamics simulation.

Noé F, Daidone I, Smith JC, di Nola A, Amadei A. Noé F, et al. J Phys Chem B. 2008 Sep 4;112(35):11155-63. doi: 10.1021/jp801391t. Epub 2008 Aug 12. J Phys Chem B. 2008. PMID: 18698708

7

Nucleotide-dependence of G-actin conformation from multiple molecular dynamics simulations and observation of a putatively polymerization-competent superclosed state.

Splettstoesser T, Noé F, Oda T, Smith JC. Splettstoesser T, et al. Among authors: noe f. Proteins. 2009 Aug 1;76(2):353-64. doi: 10.1002/prot.22350. Proteins. 2009. PMID: 19156817

8

Probability distributions of molecular observables computed from Markov models. II. Uncertainties in observables and their time-evolution.

Chodera JD, Noé F. Chodera JD, et al. Among authors: noe f. J Chem Phys. 2010 Sep 14;133(10):105102. doi: 10.1063/1.3463406. J Chem Phys. 2010. PMID: 20849191

9

Mechanisms of protein-ligand association and its modulation by protein mutations.

Held M, Metzner P, Prinz JH, Noé F. Held M, et al. Among authors: noe f. Biophys J. 2011 Feb 2;100(3):701-710. doi: 10.1016/j.bpj.2010.12.3699. Biophys J. 2011. PMID: 21281585 Free PMC article.

10

Dynamical fingerprints for probing individual relaxation processes in biomolecular dynamics with simulations and kinetic experiments.

Noé F, Doose S, Daidone I, Löllmann M, Sauer M, Chodera JD, Smith JC. Noé F, et al. Proc Natl Acad Sci U S A. 2011 Mar 22;108(12):4822-7. doi: 10.1073/pnas.1004646108. Epub 2011 Mar 2. Proc Natl Acad Sci U S A. 2011. PMID: 21368203 Free PMC article.

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