12 research outputs found
Bethe Ansatz for the Spin-1 XXX Chain with Two Impurities
By using algebraic Bethe ansatz method, we give the Hamitonian of the spin-1
XXX chain associated with with two boundary impurities.Comment: 8 pages, latex, no figures, to be appeared in Commun. Theor. Phy
The Dynamical Yang-Baxter Relation and the Minimal Representation of the Elliptic Quantum Group
In this paper, we give the general forms of the minimal matrix (the
elements of the -matrix are numbers) associated with the Boltzmann
weights of the interaction-round-a-face (IRF) model and the minimal
representation of the series elliptic quantum group given by Felder
and Varchenko. The explicit dependence of elements of -matrices on spectral
parameter are given. They are of five different forms (A(1-4) and B). The
algebra for the coefficients (which do not depend on ) are given. The
algebra of form A is proved to be trivial, while that of form B obey
Yang-Baxter equation (YBE). We also give the PBW base and the centers for the
algebra of form B.Comment: 23 page
Integrability of the Heisenberg Chains with Boundary Impurities and Their Bethe Ansatz
In this paper, we show the integrability of spin-1/2 XXZ Heisenberg chain
with two arbitrary spin boundary Impurities. By using the fusion method, we
generalize it to the spin-1 XXZ chain. Then the eigenvalues of Hamiltonians of
these models are obtained by the means of Bethe ansatz method.Comment: 13 pages, latex, no figures, to be appeared in J.Phys.
AI is a viable alternative to high throughput screening: a 318-target study
: High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space. Computational approaches combined with vast on-demand chemical libraries can access far greater chemical space, provided that the predictive accuracy is sufficient to identify useful molecules. Through the largest and most diverse virtual HTS campaign reported to date, comprising 318 individual projects, we demonstrate that our AtomNet® convolutional neural network successfully finds novel hits across every major therapeutic area and protein class. We address historical limitations of computational screening by demonstrating success for target proteins without known binders, high-quality X-ray crystal structures, or manual cherry-picking of compounds. We show that the molecules selected by the AtomNet® model are novel drug-like scaffolds rather than minor modifications to known bioactive compounds. Our empirical results suggest that computational methods can substantially replace HTS as the first step of small-molecule drug discovery
A self-assembling prodrug nanosystem to enhance metabolic stability and anticancer activity of gemcitabine
International audienc