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Items: 1 to 20 of 52

1.

Analysis of long non-coding RNA and mRNA expression in bovine macrophages brings up novel aspects of Mycobacterium avium subspecies paratuberculosis infections.

Gupta P, Peter S, Jung M, Lewin A, Hemmrich-Stanisak G, Franke A, von Kleist M, Schütte C, Einspanier R, Sharbati S, Bruegge JZ.

Sci Rep. 2019 Feb 7;9(1):1571. doi: 10.1038/s41598-018-38141-x.

2.

EMT network-based feature selection improves prognosis prediction in lung adenocarcinoma.

Shao B, Bjaanæs MM, Helland Å, Schütte C, Conrad T.

PLoS One. 2019 Jan 31;14(1):e0204186. doi: 10.1371/journal.pone.0204186. eCollection 2019.

3.

A kernel-based approach to molecular conformation analysis.

Klus S, Bittracher A, Schuster I, Schütte C.

J Chem Phys. 2018 Dec 28;149(24):244109. doi: 10.1063/1.5063533.

PMID:
30599717
4.

Data-driven computation of molecular reaction coordinates.

Bittracher A, Banisch R, Schütte C.

J Chem Phys. 2018 Oct 21;149(15):154103. doi: 10.1063/1.5035183.

PMID:
30342463
5.

MSM/RD: Coupling Markov state models of molecular kinetics with reaction-diffusion simulations.

Dibak M, Del Razo MJ, De Sancho D, Schütte C, Noé F.

J Chem Phys. 2018 Jun 7;148(21):214107. doi: 10.1063/1.5020294.

PMID:
29884049
6.

Transition Manifolds of Complex Metastable Systems: Theory and Data-Driven Computation of Effective Dynamics.

Bittracher A, Koltai P, Klus S, Banisch R, Dellnitz M, Schütte C.

J Nonlinear Sci. 2018;28(2):471-512. doi: 10.1007/s00332-017-9415-0. Epub 2017 Oct 12.

7.

Hybrid models for chemical reaction networks: Multiscale theory and application to gene regulatory systems.

Winkelmann S, Schütte C.

J Chem Phys. 2017 Sep 21;147(11):114115. doi: 10.1063/1.4986560.

PMID:
28938803
8.

The spatiotemporal master equation: Approximation of reaction-diffusion dynamics via Markov state modeling.

Winkelmann S, Schütte C.

J Chem Phys. 2016 Dec 7;145(21):214107. doi: 10.1063/1.4971163.

PMID:
28799405
9.

Role of bone morphogenetic proteins in sprouting angiogenesis: differential BMP receptor-dependent signaling pathways balance stalk vs. tip cell competence.

Benn A, Hiepen C, Osterland M, Schütte C, Zwijsen A, Knaus P.

FASEB J. 2017 Nov;31(11):4720-4733. doi: 10.1096/fj.201700193RR. Epub 2017 Jul 21.

10.

Simulation, identification and statistical variation in cardiovascular analysis (SISCA) - A software framework for multi-compartment lumped modeling.

Huttary R, Goubergrits L, Schütte C, Bernhard S.

Comput Biol Med. 2017 Aug 1;87:104-123. doi: 10.1016/j.compbiomed.2017.05.021. Epub 2017 May 20.

PMID:
28577434
11.

Set-free Markov state model building.

Weber M, Fackeldey K, Schütte C.

J Chem Phys. 2017 Mar 28;146(12):124133. doi: 10.1063/1.4978501.

PMID:
28388134
12.

Sparse Proteomics Analysis - a compressed sensing-based approach for feature selection and classification of high-dimensional proteomics mass spectrometry data.

Conrad TO, Genzel M, Cvetkovic N, Wulkow N, Leichtle A, Vybiral J, Kutyniok G, Schütte C.

BMC Bioinformatics. 2017 Mar 9;18(1):160. doi: 10.1186/s12859-017-1565-4.

13.

New methods: general discussion.

Angulo G, Astumian RD, Beniwal V, Bolhuis PG, Dellago C, Ellis J, Ensing B, Glowacki DR, Hammes-Schiffer S, Kästner J, Lelièvre T, Makri N, Manolopoulos D, Menzl G, Miller TF, Mulholland A, Oprzeska-Zingrebe EA, Parrinello M, Pollak E, Proppe J, Reiher M, Richardson J, Roy Chowdhury P, Sanz E, Schütte C, Shalashilin D, Szabla R, Taraphder S, Tiwari A, Vanden-Eijnden E, Vijaykumar A, Zinovjev K.

Faraday Discuss. 2016 Dec 22;195:521-556. doi: 10.1039/C6FD90075E. No abstract available.

PMID:
27929586
14.

On metastability and Markov state models for non-stationary molecular dynamics.

Koltai P, Ciccotti G, Schütte C.

J Chem Phys. 2016 Nov 7;145(17):174103.

PMID:
27825227
15.

Effective dynamics along given reaction coordinates, and reaction rate theory.

Zhang W, Hartmann C, Schütte C.

Faraday Discuss. 2016 Dec 22;195:365-394. doi: 10.1039/c6fd00147e.

PMID:
27722497
16.

Building Markov State Models for Periodically Driven Non-Equilibrium Systems.

Wang H, Schütte C.

J Chem Theory Comput. 2015 Apr 14;11(4):1819-31.

PMID:
26889513
17.

Influence of pH and sequence in peptide aggregation via molecular simulation.

Enciso M, Schütte C, Delle Site L.

J Chem Phys. 2015 Dec 28;143(24):243130. doi: 10.1063/1.4935707.

PMID:
26723615
18.

Solution of the chemical master equation by radial basis functions approximation with interface tracking.

Kryven I, Röblitz S, Schütte C.

BMC Syst Biol. 2015 Oct 8;9:67. doi: 10.1186/s12918-015-0210-y.

19.

Logical-continuous modelling of post-translationally regulated bistability of curli fiber expression in Escherichia coli.

Yousef KP, Streck A, Schütte C, Siebert H, Hengge R, von Kleist M.

BMC Syst Biol. 2015 Jul 23;9:39. doi: 10.1186/s12918-015-0183-x.

20.

Optimal Treatment Strategies in the Context of 'Treatment for Prevention' against HIV-1 in Resource-Poor Settings.

Duwal S, Winkelmann S, Schütte C, von Kleist M.

PLoS Comput Biol. 2015 Apr 30;11(4):e1004200. doi: 10.1371/journal.pcbi.1004200. eCollection 2015 Apr.

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