Results 251 to 260 of about 612,388 (310)

Perturbation of eigenvalues with an engineering application

, 1969
W. M. Greenlee
openalex   +1 more source

Factors Influencing the Binding of HIV‐1 Protease Inhibitors: Insights from Machine Learning Models

ChemMedChem, EarlyView.
Machine learning unlocks the secrets of HIV‐1 protease inhibition, paving the way for data‐driven antiviral drug design. This study analyzes crystallographic data from hundreds of protein–ligand complexes, predicting ligand binding affinity with over 85% accuracy.
Yaffa Shalit, Inbal Tuvi‐Arad
wiley   +1 more source

Quantum Electrodynamics from Quantum Cellular Automata, and the Tension Between Symmetry, Locality, and Positive Energy. [PDF]

Entropy (Basel)
Brun TA, Mlodinow L.
europepmc   +1 more source

Uniqueness on average of large isoperimetric sets in noncompact manifolds with nonnegative Ricci curvature

Communications on Pure and Applied Mathematics, EarlyView.
Abstract Let (Mn,g)$(M^n,g)$ be a complete Riemannian manifold which is not isometric to Rn$\mathbb {R}^n$, has nonnegative Ricci curvature, Euclidean volume growth, and quadratic Riemann curvature decay. We prove that there exists a set G⊂(0,∞)$\mathcal {G}\subset (0,\infty)$ with density 1 at infinity such that for every V∈G$V\in \mathcal {G}$ there ...
Gioacchino Antonelli, Marco Pozzetta, Daniele Semola   +2 more
wiley   +1 more source

Reply to the Comments on "Development and Validation of Hospital Mental Health Screen to Detect Psychiatric Morbidity in Medically Ill Patients in India". [PDF]

Indian J Psychol Med
Sutar R, Lahiri A, Majumdar A, Chaturvedi SK, Sharma M.   +4 more
europepmc   +1 more source

Free energy expansions of a conditional GinUE and large deviations of the smallest eigenvalue of the LUE

Communications on Pure and Applied Mathematics, EarlyView.
Abstract We consider a planar Coulomb gas ensemble of size N$N$ with the inverse temperature β=2$\beta =2$ and external potential Q(z)=|z|2−2clog|z−a|$Q(z)=|z|^2-2c \log |z-a|$, where c>0$c>0$ and a∈C$a \in \mathbb {C}$. Equivalently, this model can be realised as N$N$ eigenvalues of the complex Ginibre matrix of size (c+1)N×(c+1)N$(c+1) N \times (c+1)
Sung‐Soo Byun, Seong‐Mi Seo, Meng Yang   +2 more
wiley   +1 more source

A Complex Structure for Two-Typed Tangent Spaces. [PDF]

Entropy (Basel)
Naudts J.
europepmc   +1 more source

The Electronic Spin State of Diradicals Obtained from the Nuclear Perspective: The Strange Case of Chichibabin Radicals

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The electronic spin state of two Chichibabin radicals is investigated using 2‐dimensional hyperfine correlated Electron Nuclear Double Resonance. The protons (I=1/2) act as a reference for the electronic spin quantum number (S) via their hyperfine interactions.
Gabriel Moise, Saleta Fernández, Kit Joll, Mikhail V. Vaganov, Fátima García, Christiane R. Timmel, Diego Peña, Arzhang Ardavan   +7 more
wiley   +1 more source

On comparison between the distance energies of a connected graph. [PDF]

Heliyon
Ganie HA, Rather BA, Shang Y.
europepmc   +1 more source

Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Linear infrared spectroscopy combined with isotope labeling and density functional theory unravels the origin of a Fermi triad in a multifunctional vibrational chromophore. Ultrafast 2DIR‐spectroscopy reports directly on the dynamics and the intramolecular vibrational energy flow pathways in the isotopically deperturbed system. Abstract Infrared probes
Claudia Gräve, Jörg Lindner, Stefan Flesch, Luis I. Domenianni, Peter Vöhringer   +4 more
wiley   +1 more source