Zobrazeno 1 - 10
of 158
pro vyhledávání: '"Maibaum Lutz"'
Publikováno v:
BMC Bioinformatics, Vol 14, Iss Suppl 2, p S8 (2013)
Abstract Background Markov state models have been widely used to study conformational changes of biological macromolecules. These models are built from short timescale simulations and then propagated to extract long timescale dynamics. However, the s
Externí odkaz:
https://doaj.org/article/f89d243cd3a947a1b4a4bcfafb906570
Autor:
Jin, Raymond, Maibaum, Lutz
Complementary DNA strands in solution reliably hybridize to form stable duplexes. We study the kinetics of the hybridization process and the mechanisms by which two initially isolated strands come together to form a stable double helix. We adopt a mu
Externí odkaz:
http://arxiv.org/abs/1807.04258
Autor:
Luo, Yongtian, Maibaum, Lutz
We study the phase behavior of multicomponent lipid bilayer vesicles that can exhibit intriguing morphological patterns and lateral phase separation. We use a modified Landau-Ginzburg model capable of describing spatially uniform phases, microemulsio
Externí odkaz:
http://arxiv.org/abs/1806.08013
Autor:
Leeb, Felix, Maibaum, Lutz
We study the effect of cholesterol on the structure of dipalmitoylphosphatidylcholine (DPPC) phospholipid bilayers. Using extensive molecular dynamics computer simulations at atomistic resolution we observe and quantify several structural changes upo
Externí odkaz:
http://arxiv.org/abs/1806.02468
Autor:
Luo, Yongtian, Maibaum, Lutz
Scattering structure factors provide essential insight into material properties and are routinely obtained in experiments, computer simulations, and theoretical analyses. Different approaches favor different geometries of the material. In case of lip
Externí odkaz:
http://arxiv.org/abs/1805.04835
Autor:
Kingsland, Addie, Maibaum, Lutz
Double-stranded DNA may contain mismatched base pairs beyond the Watson-Crick pairs guanine-cytosine and adenine-thymine. Such mismatches bear adverse consequences for human health. We utilize molecular dynamics and metadynamics computer simulations
Externí odkaz:
http://arxiv.org/abs/1803.02027
Autor:
He, Shushan, Maibaum, Lutz
Publikováno v:
Journal of Physical Chemistry B 2018, 122 (14), 3961
Understanding the (de)mixing behavior of multicomponent lipid bilayers is an important step towards unraveling the nature of spatial composition heterogeneities in cellular membranes and their role in biological function. We use coarse-grained molecu
Externí odkaz:
http://arxiv.org/abs/1801.05495
Autor:
Pokhrel, Nihit, Maibaum, Lutz
Publikováno v:
Journal of Chemical Theory and Computation 2018, 14 (3), 1762
Understanding how different classes of molecules move across biological membranes is a prerequisite to predicting a solute's permeation rate, which is a critical factor in the fields of drug design and pharmacology. We use biased Molecular Dynamics c
Externí odkaz:
http://arxiv.org/abs/1707.05453
Akademický článek
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Autor:
Ludwig, James, Maibaum, Lutz *
Publikováno v:
In Chemistry and Physics of Lipids November 2020 233