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Observation of a New Narrow Axial-Vector Meson a1(1420).

Physical review letters

Adolph C, Akhunzyanov R, Alexeev MG, Alexeev GD, Amoroso A, Andrieux V, Anosov V, Austregesilo A, Azevedo C, Badełek B, Balestra F, Barth J, Beck R, Bedfer Y, Bernhard J, Bicker K, Bielert ER, Birsa R, Bisplinghoff J, Bodlak M, Boer M, Bordalo P, Bradamante F, Braun C, Bressan A, Büchele M, Burtin E, Chang WC, Chiosso M, Choi I, Chung SU, Cicuttin A, Crespo ML, Curiel Q, Dalla Torre S, Dasgupta SS, Dasgupta S, Denisov OY, Dhara L, Donskov SV, Doshita N, Dünnweber W, Duic V, Dziewiecki M, Efremov A, Eversheim PD, Eyrich W, Faessler M, Ferrero A, Finger M, Finger M, Fischer H, Franco C, du Fresne von Hohenesche N, Friedrich JM, Frolov V, Gautheron F, Gavrichtchouk OP, Gerassimov S, Gnesi I, Gorzellik M, Grabmüller S, Grasso A, Grosse-Perdekamp M, Grube B, Grussenmeyer T, Guskov A, Haas F, Hahne D, von Harrach D, Hashimoto R, Heinsius FH, Herrmann F, Hinterberger F, Horikawa N, d'Hose N, Hsieh CY, Huber S, Ishimoto S, Ivanov A, Ivanshin Y, Iwata T, Jahn R, Jary V, Jörg P, Joosten R, Kabuß E, Ketzer B, Khaustov GV, Khokhlov YA, Kisselev Y, Klein F, Klimaszewski K, Koivuniemi JH, Kolosov VN, Kondo K, Königsmann K, Konorov I, Konstantinov VF, Kotzinian AM, Kouznetsov O, Krämer M, Kremser P, Krinner F, Kroumchtein ZV, Kuchinski N, Kunne F, Kurek K, Kurjata RP, Lednev AA, Lehmann A, Levillain M, Levorato S, Lichtenstadt J, Maggiora A, Magnon A, Makins N, Makke N, Mallot GK, Marchand C, Martin A, Marzec J, Matousek J, Matsuda H, Matsuda T, Meshcheryakov G, Meyer W, Michigami T, Mikhailov YV, Miyachi Y, Nagaytsev A, Nagel T, Nerling F, Neyret D, Nikolaenko VI, Novy J, Nowak WD, Nunes AS, Olshevsky AG, Orlov I, Ostrick M, Panzieri D, Parsamyan B, Paul S, Peng JC, Pereira F, Pesek M, Peshekhonov DV, Platchkov S, Pochodzalla J, Polyakov VA, Pretz J, Quaresma M, Quintans C, Ramos S, Regali C, Reicherz G, Riedl C, Rocco E, Rossiyskaya NS, Ryabchikov DI, Rychter A, Samoylenko VD, Sandacz A, Santos C, Sarkar S, Savin IA, Sbrizzai G, Schiavon P, Schmeing S, Schmidt K, Schmieden H, Schönning K, Schopferer S, Schlüter T, Selyunin A, Shevchenko OY, Silva L, Sinha L, Sirtl S, Slunecka M, Sozzi F, Srnka A, Stolarski M, Sulc M, Suzuki H, Szabelski A, Szameitat T, Sznajder P, Takekawa S, Ter Wolbeek J, Tessaro S, Tessarotto F, Thibaud F, Tskhay V, Uhl S, Veloso J, Virius M, Wallner S, Weisrock T, Wilfert M, Zaremba K, Zavertyaev M, Zemlyanichkina E, Ziembicki M, Zink A.
PMID: 26340182
Phys Rev Lett. 2015 Aug 21;115(8):082001. doi: 10.1103/PhysRevLett.115.082001. Epub 2015 Aug 19.

The COMPASS Collaboration at CERN has measured diffractive dissociation of 190  GeV/c pions into the π(-)π(-)π(+) final state using a stationary hydrogen target. A partial-wave analysis (PWA) was performed in bins of 3π mass and four-momentum transfer using the...

Dynamic force spectroscopy of molecular adhesion bonds.

Physical review letters

Heymann B, Grubmüller H.
PMID: 10991140
Phys Rev Lett. 2000 Jun 26;84(26):6126-9. doi: 10.1103/PhysRevLett.84.6126.

Recent advances in atomic force microscopy, biomembrane force probe experiments, and optical tweezers allow one to measure the response of single molecules to mechanical stress with high precision. Such experiments, due to limited spatial resolution, typically access only one...

Constant pH Molecular Dynamics in Explicit Solvent with λ-Dynamics.

Journal of chemical theory and computation

Donnini S, Tegeler F, Groenhof G, Grubmüller H.
PMID: 21687785
J Chem Theory Comput. 2011 Jun 14;7(6):1962-1978. doi: 10.1021/ct200061r. Epub 2011 Apr 25.

pH is an important parameter in condensed-phase systems, because it determines the protonation state of titratable groups and thus influences the structure, dynamics, and function of molecules in solution. In most force field simulation protocols, however, the protonation state...

Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS.

Journal of chemical theory and computation

Kutzner C, Czub J, Grubmüller H.
PMID: 21566696
J Chem Theory Comput. 2011 May 10;7(5):1381-1393. doi: 10.1021/ct100666v. Epub 2011 Mar 31.

We describe a versatile method to enforce the rotation of subsets of atoms, e.g., a protein subunit, in molecular dynamics (MD) simulations. In particular, we introduce a "flexible axis" technique that allows realistic flexible adaptions of both the rotary...

Quantifying Artifacts in Ewald Simulations of Inhomogeneous Systems with a Net Charge.

Journal of chemical theory and computation

Hub JS, de Groot BL, Grubmüller H, Groenhof G.
PMID: 26579917
J Chem Theory Comput. 2014 Jan 14;10(1):381-90. doi: 10.1021/ct400626b. Epub 2014 Jan 02.

Ewald summation, which has become the de facto standard for computing electrostatic interactions in biomolecular simulations, formally requires that the simulation box is neutral. For non-neutral systems, the Ewald algorithm implicitly introduces a uniform background charge distribution that effectively...

Predicting slow structural transitions in macromolecular systems: Conformational flooding.

Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

Grubmüller H.
PMID: 9963736
Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics. 1995 Sep;52(3):2893-2906. doi: 10.1103/physreve.52.2893.

No abstract available.

Brønsted acid catalysis - the effect of 3,3'-substituents on the structural space and the stabilization of imine/phosphoric acid complexes.

Chemical science

Melikian M, Gramüller J, Hioe J, Greindl J, Gschwind RM.
PMID: 31191877
Chem Sci. 2019 Apr 08;10(20):5226-5234. doi: 10.1039/c9sc01044k. eCollection 2019 May 28.

BINOL derived chiral phosphoric acids (CPAs) are widely known for their high selectivity. Numerous 3,3'-substituents are used for a variety of stereoselective reactions and theoretical models of their effects are provided. However, experimental data about the structural space of...

Identification of tumor tissue-derived DNA methylation biomarkers for the detection and therapy response evaluation of metastatic castration resistant prostate cancer in liquid biopsies.

Molecular cancer

Dillinger T, Sheibani-Tezerji R, Pulverer W, Stelzer I, Hassler MR, Scheibelreiter J, Pérez Malla CU, Kuroll M, Domazet S, Redl E, Ely S, Brezina S, Tiefenbacher A, Rebhan K, Hübner N, Grubmüller B, Mitterhauser M, Hacker M, Weinhaeusel A, Simon J, Zeitlinger M, Gsur A, Kramer G, Shariat SF, Kenner L, Egger G.
PMID: 34980142
Mol Cancer. 2022 Jan 03;21(1):7. doi: 10.1186/s12943-021-01445-0.

No abstract available.

Enantioselective [2 + 2] Photocycloaddition via Iminium Ions: Catalysis by a Sensitizing Chiral Brønsted Acid.

Journal of the American Chemical Society

Pecho F, Sempere Y, Gramüller J, Hörmann FM, Gschwind RM, Bach T.
PMID: 34156845
J Am Chem Soc. 2021 Jun 30;143(25):9350-9354. doi: 10.1021/jacs.1c05240. Epub 2021 Jun 22.

No abstract available.

Nanodroplets at Membranes Create Tight-Lipped Membrane Necks via Negative Line Tension.

ACS nano

Satarifard V, Grafmüller A, Lipowsky R.
PMID: 30525450
ACS Nano. 2018 Dec 26;12(12):12424-12435. doi: 10.1021/acsnano.8b06634. Epub 2018 Dec 14.

The response of biomembranes to aqueous-phase separation and to the resulting water-in-water droplets has been recently studied on the micrometer scale using optical microscopy and elasticity theory. When such a droplet adheres to the membrane, it forms a contact...

More bang for your buck: Improved use of GPU nodes for GROMACS 2018.

Journal of computational chemistry

Kutzner C, Páll S, Fechner M, Esztermann A, de Groot BL, Grubmüller H.
PMID: 31260119
J Comput Chem. 2019 Oct 15;40(27):2418-2431. doi: 10.1002/jcc.26011. Epub 2019 Jul 01.

We identify hardware that is optimal to produce molecular dynamics (MD) trajectories on Linux compute clusters with the GROMACS 2018 simulation package. Therefore, we benchmark the GROMACS performance on a diverse set of compute nodes and relate it to...

Speeding up parallel GROMACS on high-latency networks.

Journal of computational chemistry

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

We investigate the parallel scaling of the GROMACS molecular dynamics code on Ethernet Beowulf clusters and what prerequisites are necessary for decent scaling even on such clusters with only limited bandwidth and high latency. GROMACS 3.3 scales well on...

Showing 1 to 12 of 60 entries