Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Frank, Tristram"'
Autor:
Achim Streit, Jennifer Schröter, Frank Tristram, Tobias Kerzenmacher, Jörg Meyer, Ugur Cayoglu, Peter Braesicke
Publikováno v:
eScience
The increase in compute power and development of sophisticated simulation models with higher resolution output triggers a need for compression algorithms for scientific data. Several compression algorithms are currently under development. Most of the
Publikováno v:
IEEE BigData
One of the scientific communities that generate the largest amounts of data today are the climate sciences. New climate models enable model integration at unprecedented resolution, simulating decades and centuries of climate change, including many co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8a3445e2ee3cb3e880defc42bec12a1b
Autor:
Frank Tristram, Velimir Meded, Marcel Mayor, Fabien Lemasson, Manfred M. Kappes, Wolfgang Wenzel, Nicolas Berton, Angela Poschlad, Frank Hennrich
Publikováno v:
Small. 10:360-367
The purity of single-walled carbon nanotubes (SWNTs) is a key parameter for their integration in electronic, optoelectronic and photonic devices. Samples of pristine SWNTs are inhomogeneous in terms of electric behavior and diameter and contain a var
Autor:
Patrick Lugenbiel, Dierk Thomas, Priya Anand, Constanze Schmidt, Clara Langer, Hugo A. Katus, Felix Wiedmann, Patrick A. Schweizer, Frank Tristram, Wolfgang Wenzel
Publikováno v:
Heart rhythm. 11(10)
Background Effective treatment of atrial fibrillation (AF) remains an unmet need. Human K 2P 3.1 (TASK-1) K + channels display atrial-specific expression and may serve as novel antiarrhythmic targets. In rodents, inhibition of K 2P 3.1 causes prolong
Autor:
Constanze, Schmidt, Felix, Wiedmann, Frank, Tristram, Priya, Anand, Wolfgang, Wenzel, Patrick, Lugenbiel, Patrick A, Schweizer, Hugo A, Katus, Dierk, Thomas
Publikováno v:
Life sciences. 97(2)
Effective management of atrial fibrillation (AF) often remains an unmet need. Cardiac two-pore-domain K(+) (K2P) channels are implicated in action potential regulation, and their inhibition has been proposed as a novel antiarrhythmic strategy. K2P2.1
Publikováno v:
Journal of computational chemistry, 33, 2504-2515
The relevance of receptor conformational change during ligand binding is well documented for many pharmaceutically relevant receptors, but is still not fully accounted for in in silico docking methods. While there has been significant progress in tre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ef18cdfdffdfd02e7cc1a9dbcdf4c4d
Autor:
Matthias Ernst, Moritz Wolf, Martin Brieg, Ivan Kondov, Nana Heilmann, Wolfgang Wenzel, P. J. Kleine, Konstantin V. Klenin, A. Biewer, Frank Tristram, Timo Strunk
Publikováno v:
Journal of computational chemistry, 33 (32), 2602-2613
Molecular simulation methods have increasingly contributed to our understanding of molecular and nanoscale systems. However, the family of Monte Carlo techniques has taken a backseat to molecular dynamics based methods, which is also reflected in the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0af8da37c1d2893d70b758ebe368a442
https://publikationen.bibliothek.kit.edu/110089609
https://publikationen.bibliothek.kit.edu/110089609
Publikováno v:
Journal of computational chemistry, 32, 2647-2653
The computational effort of biomolecular simulations can be significantly reduced by means of implicit solvent models in which the energy generally contains a correction depending on the surface area and/or the volume of the molecule. In this article
Autor:
Kathrin Staudacher, Patrick Koelsch, Ronald Koschny, Patrick A. Schweizer, Lu Wang, Sabrina Obers, Eckhard Ficker, Hugo A. Katus, Xiaoping Wan, Jana Kisselbach, Dierk Thomas, Ingo Staudacher, Frank Tristram, Wolfgang Wenzel
Publikováno v:
Naunyn-Schmiedeberg's archives of pharmacology, 383, 119-139
Cardiac side effects of antidepressant drugs are well recognized. Adverse effects precipitated by the tricyclic drug desipramine include prolonged QT intervals, torsade de pointes tachycardia, heart failure, and sudden cardiac death. QT prolongation
Autor:
Frank Tristram
Publikováno v:
Journal of Cheminformatics
Many small-molecule drugs work by binding specifically to a target protein in the cell. It is known for over a century that both the ligand and protein receptor change their conformation in the association process, which is called the induced-fit eff