Results 271 to 280 of about 388,426 (349)

Identification of potential natural BCL-2 inhibitors for leukemia through an integrated virtual screening approach. [PDF]

BMC Pharmacol Toxicol
Das U, Mukherjee A, Mukunthan KS, Kumar J.   +3 more
europepmc   +1 more source

Enabling Real‐Time Shape‐Sensing in Soft Robots via a Miniaturized, Single‐Signal, Color‐Tuned Soft Optical Sensor

Advanced Robotics Research, EarlyView.
A miniaturized soft optical sensor that uses thin film color tuning enables real‐time 3D shape‐sensing from a single red–green–blue (RGB) signal. When integrated into a soft robot, it enables closed‐loop control and autonomous navigation in a phantom lung environment without the need for onboard electronics, achieving sub‐millimeter accuracy through ...
Frank Juliá Wise, Yitong Lu, Daniel Van Lewen, Riley Applebaum, Bianca Andrada, Johnathan Reamer, Sheila Russo   +6 more
wiley   +1 more source

Condensation of Force Field Parameters from Machine Learning Predicted Distributions for High-Throughput Virtual Screening Applications. [PDF]

J Chem Inf Model
Bonanni D, Zhang Y, Gadioli D, Scarpellini G, Morerio P, Del Bue A, Beccari AR, Palermo G.   +7 more
europepmc   +1 more source

Tumbling Magnetic Microrobots for Targeted In Vivo Drug Delivery in the GI Tract

Advanced Robotics Research, EarlyView.
We introduce a microrobot design and integrated system for on‐demand targeted drug release in the gastrointestinal tract. The microrobot has an embedded magnet for actuation with external magnetic fields and is visualized in real time using ultrasound. It has two drug release ports sealed with a thermally sensitive wax. Local heating of the wax using a
Aaron C. Davis, Luis Carlos Sanjuan Acosta, Shubh P. Mehta, Baiyan Qi, Yang Yang, Luis Solorio, Craig J. Goergen, David J. Cappelleri   +7 more
wiley   +1 more source

Challenges and Future Directions in Assessing the Quality and Completeness of Advanced Materials Safety Data for Re‐Usability: A Position Paper From the Nanosafety Community

Advanced Sustainable Systems, EarlyView.
Nanosafety data provide a guiding example for establishing best practices in data management, aligning with FAIR principles and quality criteria. This review explores existing quality assessment approaches for reliability, relevance, and completeness, emphasizing the need for harmonization and adaptation to nanomaterials and advanced materials. The aim
Verónica I. Dumit, Irini Furxhi, Penny Nymark, Antreas Afantitis, Ammar Ammar, Monica J. B. Amorim, Dalila Antunes, Svetlana Avramova, Chiara L. Battistelli, Gianpietro Basei, Cecilia Bossa, Emil Cimpan, Mihaela Roxana Cimpan, Dmitri Ciornii, Anna Costa, Camilla Delpivo, Maria Dusinska, Ana Sofia Fonseca, Steffi Friedrichs, Vasile‐Dan Hodoroaba, Danail Hristozov, Panagiotis Isigonis, Nina Jeliazkova, Nikolay Kochev, Eva Kranjc, Dieter Maier, Georgia Melagraki, Anastasios G. Papadiamantis, Tomasz Puzyn, Hubert Rauscher, Katie Reilly, Araceli Sánchez Jiménez, Janeck J. Scott‐Fordsmand, Neeraj Shandilya, Hyun Kil Shin, Gergana Tancheva, Jeaphianne P. M. van Rijn, Egon L. Willighagen, Ewelina Wyrzykowska, Martine I. Bakker, Damjana Drobne, Thomas E. Exner, Martin Himly, Iseult Lynch   +43 more
wiley   +1 more source

Unveiling novel drug-target couples: an empowered automated pipeline for enhanced virtual screening using AutoDock Vina. [PDF]

Bioinform Adv
Bonomi S, Carsi S, Turilli-Ghisolfi ES, Oltra E, Alberio T, Fasano M.   +5 more
europepmc   +1 more source

Simulation of Carrier Injection Pathways in Axial GaN Nanowire MicroLEDs

Advanced Theory and Simulations, EarlyView.
This study examines how geometrical variations in the active region affect carrier injection in multiple quantum well light‐emitting diodes (LEDs) based on axial nanowires. The key role of semipolar quantum wells located at the nanowire edges is highlighted, which efficiently facilitates electron injection into the central polar quantum wells.
Amadéo Vibert, Mehdi Daanoune, Quentin Rafhay, Jean‐Yves Duboz   +3 more
wiley   +1 more source

Structure-Based Virtual Screening and In Silico Evaluation of Marine Algae Metabolites as Potential α-Glucosidase Inhibitors for Antidiabetic Drug Discovery. [PDF]

Pharmaceuticals (Basel)
Rossafi B, Abchir O, Guerguer F, Abass KS, Yamari I, El Kouali M, Samadi A, Chtita S.   +7 more
europepmc   +1 more source

First‐Principles Structure–Activity Relationship Insights Into Phenolic Scaffolds: QSAR Modeling and Drug‐Likeness Screening

Advanced Theory and Simulations, EarlyView.
Integrated machine learning framework for phenolic derivatives: classification (toxicity) and regression (logP) models identify top drug‐like compounds. Random Forest outperformed for toxicity, while Linear Regression best predicted logP. A weighted scoring approach prioritized five safe, lipophilicity‐optimized candidates, supporting rational ...
Houria Nacer, Sridhar Priyankha, Gopal Hema, Anouar Zerouali, Hamza Haddag, Muneerah Mogren Al Mogren, Muthuramalingam Prakash, Majdi Hochlaf   +7 more
wiley   +1 more source

In Silico Prediction of Potential pTLR7/pSTING Dual-Targeting Ligands via Virtual Screening and Molecular Dynamics Simulation. [PDF]

Int J Mol Sci
Liu C, Qin Z, Bai L, Xu X, Ge W, Li Z, Li J.   +6 more
europepmc   +1 more source