Zobrazeno 1 - 10
of 46
pro vyhledávání: '"Doser, Bernd"'
Simulations are the best approximation to experimental laboratories in astrophysics and cosmology. However, the complexity, richness, and large size of their outputs severely limit the interpretability of their predictions. We describe a new, unbiase
Externí odkaz:
http://arxiv.org/abs/2406.03810
Autor:
Kokha, Daria B., Doser, Bernd, Richter, Stefan, Ormersbach, Fabian, Cheng, Xingyi, Wade, Rebecca C.
Publikováno v:
J. Chem. Phys. 153, 125102 (2020)
The dissociation of ligands from proteins and other biomacromolecules occurs over a wide range of timescales. For most pharmaceutically relevant inhibitors, these timescales are far beyond those that are accessible by conventional molecular dynamics
Externí odkaz:
http://arxiv.org/abs/2006.11066
Autor:
Kokh, Daria B., Doser, Bernd, Richter, Stefan, Ormersbach, Fabian, Cheng, Xingyi, Wade, Rebecca C.
Publikováno v:
Journal of Chemical Physics; 9/28/2020, Vol. 153 Issue 12, p1-15, 15p
Autor:
Doser Bernd, Neumann Marcus A
Publikováno v:
Journal of Cheminformatics, Vol 4, Iss Suppl 1, p O15 (2012)
Externí odkaz:
https://doaj.org/article/ff0e45bd38d940af863cba41d9a9ea07
Publikováno v:
Journal of Physical Organic Chemistry. May2015, Vol. 28 Issue 5, p354-357. 4p.
Publikováno v:
Journal of Chemical Physics; 5/28/2009, Vol. 130 Issue 20, p204112, 4p, 2 Charts
Publikováno v:
Journal of Chemical Physics; 2/14/2009, Vol. 130 Issue 6, pN.PAG, 14p, 3 Diagrams, 5 Charts, 4 Graphs
Publikováno v:
Journal of Chemical Physics; 4/21/2008, Vol. 128 Issue 15, p154101, 8p, 1 Chart
Publikováno v:
Journal of Chemical Physics; 11/8/2005, Vol. 123 Issue 18, p184102, 11p, 6 Charts, 1 Graph