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of 36
pro vyhledávání: '"Post Matthias"'
To sample rare events, dissipation-corrected targeted molecular dynamics (dcTMD) applies a constant velocity constraint along a one-dimensional reaction coordinate $s$, which drives an atomistic system from an initial state into a target state. Emplo
Externí odkaz:
http://arxiv.org/abs/2309.08759
Publikováno v:
EPJ Web of Conferences, Vol 175, p 13002 (2018)
Among the different scenarios of New Physics, those with an extended Higgs sector are examined with a lot of attention. Recent experimental observations of several anomalies in flavour physics with respect to expectations of the Standard Model furthe
Externí odkaz:
https://doaj.org/article/91ec1dceeadc448ead2e948cfb75938f
Publikováno v:
J. Chem. Phys. 158, 124106 (2023)
Protein-ligand (un)binding simulations are a recent focus of biased molecular dynamics simulations. Such binding and unbinding can occur via different pathways in and out of a binding site. We here present a theoretical framework how to compute kinet
Externí odkaz:
http://arxiv.org/abs/2212.07154
Publikováno v:
J. Chem. Theory Comput. (2022)
The friction coefficient of fluids may become a function of the velocity at increased external driving. This non-Newtonian behavior is of general theoretical interest as well as of great practical importance, e.g., for the design of lubricants. While
Externí odkaz:
http://arxiv.org/abs/2202.06786
Autor:
Bozovic, Olga, Zanobini, Claudio, Gulzar, Adnan, Jankovic, Brankica, Buhrke, David, Post, Matthias, Wolf, Steffen, Stock, Gerhard, Hamm, Peter
Publikováno v:
Proc. Natl. Acad. Sci. USA 117, 26031-26039 (2020)
While allostery is of paramount importance for protein regulation, the underlying dynamical process of ligand (un)binding at one site, resulting time evolution of the protein structure, and change of the binding affinity at a remote site is not well
Externí odkaz:
http://arxiv.org/abs/2008.01625
Publikováno v:
J. Chem. Phys., 150(20), 204110 (2019)
Principal component analysis (PCA) represents a standard approach to identify collective variables $\{x_i\}\!=\!\boldsymbol{x}$, which can be used to construct the free energy landscape $\Delta G(\boldsymbol{x})$ of a molecular system. While PCA is r
Externí odkaz:
http://arxiv.org/abs/1903.08105
Publikováno v:
Phys. Rev. D 98, 054506 (2018)
We report on a two-flavour lattice QCD study of the D_s and D_s^* leptonic decays parameterized by the decay constants f_{D_s} and f_{D_s^*}. As the phenomenology in the D_s sector seems very promising in the next years with the experiments LHCb and
Externí odkaz:
http://arxiv.org/abs/1803.03065
Publikováno v:
In Journal of Molecular Biology 15 September 2022 434(17)
Among the different scenarios of New Physics, those with an extended Higgs sector are examined with a lot of attention. Recent experimental observations of several anomalies in flavour physics with respect to expectations of the Standard Model furthe
Externí odkaz:
http://arxiv.org/abs/1711.05661
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