Results 61 to 70 of about 25,004 (307)

A Fractional Schrodinger Equation and Its Solution

open access: yes, 2010
This paper presents a fractional Schrodinger equation and its solution. The fractional Schrodinger equation may be obtained using a fractional variational principle and a fractional Klein-Gordon equation; both methods are considered here.
Muslih, Sami I.   +2 more
core   +1 more source

Discovery of a Potent Fluorescence Polarization Probe for Identifying USP1 Allosteric Inhibitors

open access: yesAdvanced Science, EarlyView.
This study presents the first ubiquitin‐specific protease 1 (USP1) allosteric fluoroprobe and fluorescence polarization assay, enabling the differentiation of allosteric and catalytic site inhibitors. Further, a novel class of tetrahydroisoquinoline‐based USP1 inhibitors is designed, with compound 14a (USP1 IC50 = 29.9 nM) showing strong selectivity ...
Jiawei Cheng   +12 more
wiley   +1 more source

The Analytical Solutions of the Schrodinger Equation for a Single Electron in the Nikiforov-Uvarov Framework

open access: yesJurnal Fisika, 2020
In this study, it is intended to show an alternative method to derive the wave function of a single electron as solutions of the Schrodinger equation.
Yacobus Yulianto, Zaki Su'ud
doaj   +1 more source

Schrodinger equation and wave equation on finite graphs

open access: yesCoRR, 2012
In this paper, we study the schrodinger equation and wave equation with the Dirichlet boundary condition on a connected finite graph. The explicit expressions for solutions are given and the energy conservations are derived. Applications to the corresponding nonlinear problems are indicated.
Li Ma, X. Y. Wang
openaire   +2 more sources

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

open access: yesAdvanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin   +11 more
wiley   +1 more source

Nonlinear Schrodinger equation solver

open access: yes, 2018
The code solves Nonlinear Schrodinger Equation numerically, which is adapted according to G.
Zhexin Zhao (5708159), SI TAN (5734430)
core   +1 more source

Aptamer‐Directed Porous DNA Nanocomposite Hydrogel for Active Pulp Preservation: Immunomodulation, Stem Cell Recruitment and Reparative Dentinogenesis

open access: yesAdvanced Science, EarlyView.
This study presents an injectable DNA‐based porous hydrogel integrating catechol motifs and targeting aptamers for pulpitis management. Upon in situ crosslinking, the scaffold actively recruits endogenous dental pulp stem cells, restores redox homeostasis, and modulates immune responses.
Luhui Cai   +9 more
wiley   +1 more source

The application bispherical coordinate in Schrödinger equation for Mobius square plus modified Yukawa potential using Nikiforov Uvarov Functional Analysis (NUFA) method

open access: yesJournal of Physics: Theories and Applications, 2020
The application bispherical coordinates in Schrödinger equation for the Mobius square plus modified Yukawa potential have been obtained. The Schrödinger equation in bispherical coordinates for the separable Mobius square plus modified Yukawa potential ...
Briant Sabathino Harya Wibawa   +2 more
doaj   +1 more source

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

open access: yesAdvanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang   +8 more
wiley   +1 more source

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