Results 11 to 20 of about 6,867,350 (304)

Molecular modelling of meso- and nanoscale dynamics [PDF]

, 2008
Molecular modelling of meso- and nanoscale dynamics is concerned with length and time scales that are in the transition zone from molecular to continuum models.
Kalweit, Marco
core   +7 more sources

Molecular dynamics simulation of an entire cell [PDF]

, 2023
The ultimate microscope, directed at a cell, would reveal the dynamics of all the cell’s components with atomic resolution. In contrast to their real-world counterparts, computational microscopes are currently on the brink of meeting this challenge.
Marrink, Siewert J; id_orcid, Stevens, Jan A; id_orcid, Stevens, Jan A., Jan A. Stevens, Stevens, Jan A, Thornburg, Zane R, Gilbert, Benjamin R., Siewert J. Marrink, Benjamin R. Gilbert, Gilbert, Benjamin R, Marrink, Siewert J, van Tilburg, P. A. Marco, Zane R. Thornburg, Brier, Troy A., Melanie König, Luthey-Schulten, Zaida, Marrink, Siewert J., P. A. Marco van Tilburg, König, Melanie; id_orcid, Troy A. Brier, Zaida Luthey-Schulten, Thornburg, Zane R., Brier, Troy A, van Tilburg, P A Marco, Fabian Grünewald, König, Melanie, Grünewald, Fabian   +26 more
core   +2 more sources

Molecular dynamics simulations in photosynthesis [PDF]

, 2020
Photosynthesis is regulated by a dynamic interplay between proteins, enzymes, pigments, lipids, and cofactors that takes place on a large spatio-temporal scale.
Marrink, Siewert Jan, Liguori, Nicoletta; id_orcid, Marrink, Siewert J, Thallmair, Sebastian, Croce, Roberta, Marrink, Siewert J; id_orcid, Liguori, Nicoletta, Croce, Roberta; id_orcid   +7 more
core   +2 more sources

The molecular dynamics of MDM2 [PDF]

Cell Cycle, 2010
The pro-oncogenic signals of a vast number of anti-cancer drug targets are mediated by protein-protein interactions. This has made such targets less attractive to classic drug discovery programmes. New paradigms in the protein science field have revealed, however, that many protein-protein complexes are stabilized by an interaction between an ...
Judith, Nicholson, Ted R, Hupp
openaire   +2 more sources

Molecular dynamics simulations [PDF]

Journal of Physics: Condensed Matter, 2004
38 pages, 11 figures, to appear in J.
Binder, K., Horbach, J., Kob, W., Paul, W., Varnik, F.   +4 more
openaire   +3 more sources

Ring polymer molecular dynamics [PDF]

, 2006
This thesis presents the ring polymer molecular dynamics (RPMD) approximation to the Kubo-transformed time correlation function and shows how it may be used as the basis of an approximate quantum-mechanical method for determining the dynamical properties
Craig, Ian R.
core   +1 more source

Mars, a molecule archive suite for reproducible analysis and reporting of single-molecule properties from bioimages

eLife, 2022
The rapid development of new imaging approaches is generating larger and more complex datasets, revealing the time evolution of individual cells and biomolecules. Single-molecule techniques, in particular, provide access to rare intermediates in complex,
Nadia M Huisjes, Thomas M Retzer, Matthias J Scherr, Rohit Agarwal, Lional Rajappa, Barbara Safaric, Anita Minnen, Karl E Duderstadt   +7 more
doaj   +1 more source

Molecular dynamics

The Journal of Logic and Algebraic Programming, 2002
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Bergstra, J.A., Bethke, I.
openaire   +5 more sources

Absolute entropies from molecular dynamics simulation trajectories [PDF]

, 2000
Absolute entropies was calculated using the molecular dynamics (MD) simulation trajectories. The heuristic formula for the calculation of entropies from the covariance matrix of atom-positional fluctuations was tested.
van Gunsteren, Wilfred F., Mark, A. E., Schafer, Heiko, van Gunsteren, W. F., Wilfred F. van Gunsteren, Mark, Alan E., Alan E. Mark, Heiko Schäfer, Schafer, H.   +8 more
core   +2 more sources

Unbiased PCR-free spatio-temporal mapping of the mtDNA mutation spectrum reveals brain region-specific responses to replication instability

BMC Biology, 2020
Background The accumulation of mtDNA mutations in different tissues from various mouse models has been widely studied especially in the context of mtDNA mutation-driven ageing but has been confounded by the inherent limitations of the most widely used ...
Emilie Kristine Bagge, Noriko Fujimori-Tonou, Mie Kubota-Sakashita, Takaoki Kasahara, Tadafumi Kato   +4 more
doaj   +1 more source