Grubmüller H - Search Results

1

Sharing Data from Molecular Simulations.

Abraham M, Apostolov R, Barnoud J, Bauer P, Blau C, Bonvin AMJJ, Chavent M, Chodera J, Čondić-Jurkić K, Delemotte L, Grubmüller H, Howard RJ, Jordan EJ, Lindahl E, Ollila OHS, Selent J, Smith DGA, Stansfeld PJ, Tiemann JKS, Trellet M, Woods C, Zhmurov A. Abraham M, et al. Among authors: grubmuller h. J Chem Inf Model. 2019 Oct 28;59(10):4093-4099. doi: 10.1021/acs.jcim.9b00665. Epub 2019 Oct 11. J Chem Inf Model. 2019. PMID: 31525920

2

Speeding up parallel GROMACS on high-latency networks.

Kutzner C, van der Spoel D, Fechner M, Lindahl E, Schmitt UW, de Groot BL, Grubmüller H. Kutzner C, et al. Among authors: grubmuller h. J Comput Chem. 2007 Sep;28(12):2075-84. doi: 10.1002/jcc.20703. J Comput Chem. 2007. PMID: 17405124

3

Energy barriers and driving forces in tRNA translocation through the ribosome.

Bock LV, Blau C, Schröder GF, Davydov II, Fischer N, Stark H, Rodnina MV, Vaiana AC, Grubmüller H. Bock LV, et al. Among authors: grubmuller h. Nat Struct Mol Biol. 2013 Dec;20(12):1390-6. doi: 10.1038/nsmb.2690. Epub 2013 Nov 3. Nat Struct Mol Biol. 2013. PMID: 24186064

4

do_x3dna: a tool to analyze structural fluctuations of dsDNA or dsRNA from molecular dynamics simulations.

Kumar R, Grubmüller H. Kumar R, et al. Among authors: grubmuller h. Bioinformatics. 2015 Aug 1;31(15):2583-5. doi: 10.1093/bioinformatics/btv190. Epub 2015 Apr 2. Bioinformatics. 2015. PMID: 25838463

5

Dynamic contact network between ribosomal subunits enables rapid large-scale rotation during spontaneous translocation.

Bock LV, Blau C, Vaiana AC, Grubmüller H. Bock LV, et al. Among authors: grubmuller h. Nucleic Acids Res. 2015 Aug 18;43(14):6747-60. doi: 10.1093/nar/gkv649. Epub 2015 Jun 24. Nucleic Acids Res. 2015. PMID: 26109353 Free PMC article.

6

Best bang for your buck: GPU nodes for GROMACS biomolecular simulations.

Kutzner C, Páll S, Fechner M, Esztermann A, de Groot BL, Grubmüller H. Kutzner C, et al. Among authors: grubmuller h. J Comput Chem. 2015 Oct 5;36(26):1990-2008. doi: 10.1002/jcc.24030. Epub 2015 Aug 4. J Comput Chem. 2015. PMID: 26238484 Free PMC article.

7

Computing Spatially Resolved Rotational Hydration Entropies from Atomistic Simulations.

Heinz LP, Grubmüller H. Heinz LP, et al. Among authors: grubmuller h. J Chem Theory Comput. 2020 Jan 14;16(1):108-118. doi: 10.1021/acs.jctc.9b00926. Epub 2019 Dec 24. J Chem Theory Comput. 2020. PMID: 31822062 Free article.

8

Mechanically induced titin kinase activation studied by force-probe molecular dynamics simulations.

Gräter F, Shen J, Jiang H, Gautel M, Grubmüller H. Gräter F, et al. Among authors: grubmuller h. Biophys J. 2005 Feb;88(2):790-804. doi: 10.1529/biophysj.104.052423. Epub 2004 Nov 5. Biophys J. 2005. PMID: 15531631 Free PMC article.

9

Molecular dynamics simulations of protein G challenge NMR-derived correlated backbone motions.

Lange OF, Grubmüller H, de Groot BL. Lange OF, et al. Among authors: grubmuller h. Angew Chem Int Ed Engl. 2005 May 30;44(22):3394-9. doi: 10.1002/anie.200462957. Angew Chem Int Ed Engl. 2005. PMID: 15912573 No abstract available.

10

Force probe molecular dynamics simulations.

Grubmüller H. Grubmüller H. Methods Mol Biol. 2005;305:493-515. doi: 10.1007/978-1-59259-912-7_23. Methods Mol Biol. 2005. PMID: 15943012

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