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Semiclassical approach to the quantum Loschmidt echo in deep quantum regions: from validity to breakdown.
Qin P, Wang Q, Wang WG. Qin P, et al. Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Dec;86(6 Pt 2):066203. doi: 10.1103/PhysRevE.86.066203. Epub 2012 Dec 4. Phys Rev E Stat Nonlin Soft Matter Phys. 2012. PMID: 23368020
An interesting question is, in models in which appropriate effective Planck constants can be introduced, to what extent will a semiclassical prediction stay valid when the effective Planck constant is increased? In this paper, we numerically study this problem, focu …
An interesting question is, in models in which appropriate effective Planck constants can be introduced, to what extent will a semicl …
Perturbation Independent Decay of the Loschmidt Echo in a Many-Body System.
Sánchez CM, Chattah AK, Wei KX, Buljubasich L, Cappellaro P, Pastawski HM. Sánchez CM, et al. Phys Rev Lett. 2020 Jan 24;124(3):030601. doi: 10.1103/PhysRevLett.124.030601. Phys Rev Lett. 2020. PMID: 32031824
Here, nuclear spins of an adamantane crystal are used as a quantum simulator to monitor such dynamics through out-of-time-order correlators, while a Loschmidt echo (LE) asses how weak perturbations degrade the information encoded in these increasingly complex states. ...Me …
Here, nuclear spins of an adamantane crystal are used as a quantum simulator to monitor such dynamics through out-of-time-order correlators, …
Computational Study of Protein-Ligand Unbinding for Enzyme Engineering.
Marques SM, Bednar D, Damborsky J. Marques SM, et al. Front Chem. 2019 Jan 8;6:650. doi: 10.3389/fchem.2018.00650. eCollection 2018. Front Chem. 2019. PMID: 30671430 Free PMC article.
The computational prediction of unbinding rate constants is presently an emerging topic in drug design. However, the importance of predicting kinetic rates is not restricted to pharmaceutical applications. ...
The computational prediction of unbinding rate constants is presently an emerging topic in drug design. However, the importance of pr …
Long-time saturation of the Loschmidt echo in quantum chaotic billiards.
Gutiérrez M, Goussev A. Gutiérrez M, et al. Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Apr;79(4 Pt 2):046211. doi: 10.1103/PhysRevE.79.046211. Epub 2009 Apr 8. Phys Rev E Stat Nonlin Soft Matter Phys. 2009. PMID: 19518316 Free article.
The Loschmidt echo (LE) (or fidelity) quantifies the sensitivity of the time evolution of a quantum system with respect to a perturbation of the Hamiltonian. ...However, until now no quantitative results have been known and, in particular, no explicit expression for the pr …
The Loschmidt echo (LE) (or fidelity) quantifies the sensitivity of the time evolution of a quantum system with respect to a perturba …
Molecular Gating of an Engineered Enzyme Captured in Real Time.
Kokkonen P, Sykora J, Prokop Z, Ghose A, Bednar D, Amaro M, Beerens K, Bidmanova S, Slanska M, Brezovsky J, Damborsky J, Hof M. Kokkonen P, et al. J Am Chem Soc. 2018 Dec 26;140(51):17999-18008. doi: 10.1021/jacs.8b09848. Epub 2018 Dec 14. J Am Chem Soc. 2018. PMID: 30501200
Photoinduced electron-transfer-fluorescence correlation spectroscopy (PET-FCS) has enabled real-time observation of molecular gating at the single-molecule level with rate constants ( k(on) = 1822 s(-1), k(off) = 60 s(-1)) corresponding well with those from the pre-steady- …
Photoinduced electron-transfer-fluorescence correlation spectroscopy (PET-FCS) has enabled real-time observation of molecular gating at the …
Discovery of Novel Haloalkane Dehalogenase Inhibitors.
Buryska T, Daniel L, Kunka A, Brezovsky J, Damborsky J, Prokop Z. Buryska T, et al. Appl Environ Microbiol. 2016 Jan 15;82(6):1958-1965. doi: 10.1128/AEM.03916-15. Appl Environ Microbiol. 2016. PMID: 26773086 Free PMC article.
The best inhibitor exhibited high specificity for the target structure, with an inhibition constant of 3 muM and a molecular architecture that clearly differs from those of all known HLD substrates. ...
The best inhibitor exhibited high specificity for the target structure, with an inhibition constant of 3 muM and a molecular architec …
Fluorescent substrates for haloalkane dehalogenases: Novel probes for mechanistic studies and protein labeling.
Dockalova V, Sanchez-Carnerero EM, Dunajova Z, Palao E, Slanska M, Buryska T, Damborsky J, Klán P, Prokop Z. Dockalova V, et al. Comput Struct Biotechnol J. 2020 Apr 8;18:922-932. doi: 10.1016/j.csbj.2020.03.029. eCollection 2020. Comput Struct Biotechnol J. 2020. PMID: 32346465 Free PMC article.
Steady-state and pre-steady-state kinetics with two of the most active haloalkane dehalogenases, DmmA and LinB, revealed that both fluorescent substrates provided specificity constant two orders of magnitude higher (0.14-12.6 muM(-1) s(-1)) than previously reported represe …
Steady-state and pre-steady-state kinetics with two of the most active haloalkane dehalogenases, DmmA and LinB, revealed that both fluoresce …
Kinetics of binding of fluorescent ligands to enzymes with engineered access tunnels.
Kaushik S, Prokop Z, Damborsky J, Chaloupkova R. Kaushik S, et al. FEBS J. 2017 Jan;284(1):134-148. doi: 10.1111/febs.13957. Epub 2016 Dec 7. FEBS J. 2017. PMID: 27863020 Free article.
We demonstrate that the fluorescence polarization method can sense differences in binding kinetics originating from even single mutations introduced to the tunnels. The results show, strikingly, that the rate constant of the dehalogenase variants varied across seven orders …
We demonstrate that the fluorescence polarization method can sense differences in binding kinetics originating from even single mutations in …
Mesoscopic fluctuations of the Loschmidt echo.
Petitjean C, Jacquod P. Petitjean C, et al. Phys Rev E Stat Nonlin Soft Matter Phys. 2005 Mar;71(3 Pt 2A):036223. doi: 10.1103/PhysRevE.71.036223. Epub 2005 Mar 29. Phys Rev E Stat Nonlin Soft Matter Phys. 2005. PMID: 15903562
In the semiclassical regime of perturbation, we show that the variance first rises algebraically up to a critical time t(c) , after which it decays. To leading order in the effective Planck's constant Planck's(eff) , this decay is given by the sum of a classical term appro …
In the semiclassical regime of perturbation, we show that the variance first rises algebraically up to a critical time t(c) , after which it …
Hypersensitivity to perturbations of quantum-chaotic wave-packet dynamics.
Silvestrov PG, Tworzydło J, Beenakker CW. Silvestrov PG, et al. Phys Rev E Stat Nonlin Soft Matter Phys. 2003 Feb;67(2 Pt 2):025204. doi: 10.1103/PhysRevE.67.025204. Epub 2003 Feb 26. Phys Rev E Stat Nonlin Soft Matter Phys. 2003. PMID: 12636735 Free article.
We reexamine the problem of the "Loschmidt echo," that measures the sensitivity to perturbation of quantum-chaotic dynamics. The overlap squared M(t) of two wave packets evolving under slightly different Hamiltonian is shown to have the double-exponential initial decay pro …
We reexamine the problem of the "Loschmidt echo," that measures the sensitivity to perturbation of quantum-chaotic dynamics. The over …
13 results