Results 81 to 90 of about 564,115 (361)

A Quantum Framework for Protein Binding‐Site Structure Prediction on Utility‐Level Quantum Processors

Advanced Science, EarlyView.
This study presents a hybrid quantum‐classical framework for accurate prediction of protein structures on utility‐level quantum processors. We evaluate the practical application of the Variational Quantum Eigen‐solver (VQE) in protein structure prediction and demonstrate its superiority over state‐of‐the‐art deep learning methods in molecular docking ...
Yuqi Zhang, Yuxin Yang, William Martin, Kingsten Lin, Zixu Wang, Cheng‐Chang Lu, Weiwen Jiang, Ruth Nussinov, Joseph Loscalzo, Qiang Guan, Feixiong Cheng   +10 more
wiley   +1 more source

Symmetric multisplitting of a symmetric positive definite matrix

Linear Algebra and its Applications, 1998
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Cao, Zhi-Hao, Liu, Zhong-Yun
openaire   +1 more source

Geometrical inverse preconditioning for symmetric positive definite matrices

, 2015
We focus on inverse preconditioners based on minimizing $F(X) = 1-\cos(XA,I)$, where $XA$ is the preconditioned matrix and $A$ is symmetric and positive definite.
Chehab, Jean-Paul, Raydan, Marcos
core   +3 more sources

A Closed‐Loop Hybrid Discovery System of Type I Photosensitizers for Hypoxic Tumor Therapy

Advanced Science, EarlyView.
The work developed a closed‐loop hybrid discovery system to rationally design and predict high‐performance Type I PSs for hypoxic tumor therapy. 664 Potential candidates are identified from a dataset through a support vector machine (SVM) classification model, and two candidates are experimentally verified as Type I PSs, which highlighted the potential
Xia Ling, Yixin Zhu, Min Li, Zongliang Xie, Lei Cao, Wentao Song, Dandan Wang, Duo Mao, Xiaonan Wang, Bin Liu   +9 more
wiley   +1 more source

Manipulating Spin States by Metal Axial Coordination of Active Sites for Generating Valuable CH4 in CO2 Reduction

Advanced Science, EarlyView.
By encapsulating Ni atoms into Mn zeolitic imidazolate framework‐8, the spin‐state transition of Mn 3d3 from low‐spin to high‐spin was facilitated upon Ni axial coordination via Mn 3d orbital splitting. This facilitates the electronic donation and induces the closing of Mn d‐band center toward Fermi level to strengthen *CO adsorption, thereby ...
Min Zhang, Qi Zhao, Yixuan Gao, Lirong Zheng, Jin Ouyang, Na Na   +5 more
wiley   +1 more source

An Inversion-Free Method for Finding Positive Definite Solution of a Rational Matrix Equation

The Scientific World Journal, 2014
A new iterative scheme has been constructed for finding minimal solution of a rational matrix equation of the form X+A*X-1A=I. The new method is inversion-free per computing step.
Fazlollah Soleymani, Mahdi Sharifi, Solat Karimi Vanani, Farhad Khaksar Haghani, Adem Kılıçman   +4 more
doaj   +1 more source

Experimental Joint Estimation of Phase and Phase Diffusion Via Deterministic Bell Measurements

Advanced Science, EarlyView.
This work employs Bell measurement, a form of entangling measurement, to estimate both the phase and its fluctuations in an optical interferometer. By incorporating a novel quantum effect at the measurement stage, the proposed method achieves the ultimate precision limit and demonstrates the significant potential of entangling measurements in multi ...
Ben Wang, Minghao Mi, Huangqiuchen Wang, Qian Xie, Lijian Zhang   +4 more
wiley   +1 more source

Trace inequalities for positive definite matrix power products

Linear Algebra and its Applications, 1990
Let A and B be Hermitian positive semidefinite \(N\times N\) matrices and let the eigenvalues of A and B be \(a_ 1,...,a_ N\) and \(b_ 1,...,b_ N\), respectively, with \(0\leq a_ 1\leq a_ 2\leq...\leq a_ N\) and \(0\leq b_ 1\leq b_ 2\leq...\leq b_ N\). The authors give an elementary proof for the inequalities: \[ \sum^{N}_{i=1}a^ n_ i b^ n_{N-i}\leq tr(
Bushell, P.J., Trustrum, G.B.
openaire   +2 more sources

Positive Semidefiniteness and Positive Definiteness of a Linear Parametric Interval Matrix

, 2017
We consider a symmetric matrix, the entries of which depend linearly on some parameters. The domains of the parameters are compact real intervals. We investigate the problem of checking whether for each (or some) setting of the parameters, the matrix is ...
A Neumaier, A Skjäl, B Gärtner, CA Floudas, CD Meyer, D Hertz, ED Popova, ED Popova, ER Hansen, G Mayer, G Rex, H Leng, J Rohn, J Shao, L Jaulin, L Vandenberghe, LV Kolev, LV Kolev, LV Kolev, M Fiedler, M Hladík, M Hladík, M Hladík, M Mönnigmann, M Zimmer, MH Matcovschi, RB Kearfott, S Białas, S Poljak, SM Rump, Y Nesterov   +30 more
core   +1 more source

Liver Stiffness Rises Early in MASLD and Drives Inflammation, Lipid Dysmetabolism, and Fibrosis via Piezo1–YAP Mechanotransduction

Advanced Science, EarlyView.
Progressive stiffening of the hepatic extracellular matrix and free fatty acid overload activate the mechanosensor Piezo1 in steatotic hepatocytes, inducing calcium influx and nuclear translocation of Yes‐associated protein. YAP‐dependent nuclear signaling further drives inflammatory and fibrotic gene programs, lipid metabolic reprogramming, and ...
Juan Ma, Ning Xie, Ziwei Wang, Xiru Liang, Yulong Han, Qiang Zhao, Ming Wang, Hongwei Lu, Wanyi Kou, William Alazawi, Jinhai Wang, Lu Li, Ning Liu, Na Liu, Haitao Shi, Feng Xu   +15 more
wiley   +1 more source