Results 211 to 220 of about 5,773,364 (265)

Targeting the 3C Protease of Hepatitis A Virus Subgenotype IB: Virtual Screening and Identification of Potent Lead Candidates. [PDF]

Microorganisms
Kanda T, Sasaki-Tanaka R, Okamoto H, Terai S, Cwiklowski CD, Nagulapalli Venkata KC.   +5 more
europepmc   +1 more source

From Folding Mechanics to Robotic Function: A Unified Modeling Framework for Compliant Origami

Advanced Science, EarlyView.
A geometry‐consistent DDG framework captures compliant origami deformation from rigid‐like folding to soft panel bending. By tuning crease and panel stiffness, bistable snap‐through responses transform into smooth monostable deformation, enabling programmable stability and robot‐scale locomotion.
Bohan Zhang, Bo Wang, Huajiang Ouyang, Zhigang Wu, Haohao Bi, Jiawei Xu, Mingchao Liu, Weicheng Huang   +7 more
wiley   +1 more source

Ligand‑Based Virtual Screening Discovery of Thienopyrimidinone Derivatives as Allosteric nSMase2 Modulators and Antivirals Against West Nile Virus. [PDF]

ChemMedChem
Álvarez-Fernández H, Mingo-Casas P, Blázquez AB, Caridi F, Martín-Acebes MA, Pérez-Pérez MJ, Priego EM.   +6 more
europepmc   +1 more source

Integration of Reconfigurable p‐Bit and 1R Crossbar Array for Memristive Probabilistic Computing

Advanced Science, EarlyView.
A memristive probabilistic computing system is demonstrated by integrating stochastic p‐bits based on volatile memristors with a 1R crossbar array encoding interaction weights. The system performs weighted‐sum operations across the array and updates p‐bits iteratively.
Keunho Soh, Ji Eun Kim, Suk Yeop Chun, Su In Hwang, Byung Seok Kim, Young Jae Lee, Ho Won Jang, Jung Ho Yoon   +7 more
wiley   +1 more source

SurroDock: A Deep Learning Surrogate for Accelerated Pre-Docking Ligand Prioritization in Structure-Based Virtual Screening. [PDF]

Int J Mol Sci
Choi J.
europepmc   +1 more source

Artificial Intelligence‐Guided Phenotypic Drug Repurposing Against Streptococcus pneumoniae

Advanced Science, EarlyView.
Integrated artificial intelligence (AI) ensembles identify highly potent repurposed drugs against Streptococcus pneumoniae. Prospective virtual screening of 6747 drugs uncovers nine active candidates, including thiostrepton. This drug exhibits low picomolar potency and bypasses established resistance in multidrug‐resistant strains, demonstrating an ...
Joshua S. Fitch, Muhammad D. Ariadi, Min Jung Kwun, Leonie Howells, Saiveth Hernandez‐Hernandez, Nicholas J. Croucher, Pedro J. Ballester   +6 more
wiley   +1 more source

Modeling the Sensitivity of Large-Scale Virtual Screening to Scoring Function Accuracy, Artifacts, and Library Composition. [PDF]

J Chem Inf Model
Moesgaard L, Shoichet BK, Mailhot O.
europepmc   +1 more source

DDX3x Regulates NINJ1 Transcription via Histone Lactylation in Sepsis Associated‐Acute Kidney Injury

Advanced Science, EarlyView.
This study identifies a potential therapeutic approach for sepsis‐associated acute kidney injury (SA‐AKI). We found that during SA‐AKI, reduced expression of DDX3x in renal tubular epithelial cells mediates histone delactylation, which in turn upregulates NINJ1 transcription and triggers tubular cell death. Conversely, Odetiglucan confers protection by
Hongyu Liang, Jihong Jiang, Huanxin Yin, Chunyan Liu, Hongjun Huang, Yan Luo, Minmin Zhu, Qiuyun Wang   +7 more
wiley   +1 more source

Detection of Degraded Formulated BaTiO3 Induced by Oxygen Vacancy Migration Using Ultrasonic Attenuation

Advanced Science, EarlyView.
Oxygen vacancy migration is a key degradation mechanism for the majority of MLCCs. There are limitations with spatially identifying regions of a capacitor that have degraded due to oxygen vacancy migration. This work showcases ultrasonic attenuation as a non‐electrical and nondestructive technique of identifying oxygen vacancy degraded regions of an ...
Haley N. Jones, Clive A. Randall, Andrea P. Argüelles, Susan Trolier‐McKinstry   +3 more
wiley   +1 more source