Results 161 to 170 of about 4,190,416 (396)

Covalent On‐Cell Conjugation of Biomaterials Through Oxidative Phenolic Coupling Regulates Stem Cell Fate via Intracellular Biophysical Programming

Advanced Functional Materials, Volume 35, Issue 17, April 25, 2025.
On‐cell covalent crosslinking of hydrogel matrix to the membrane of a single cell using droplet microfluidics enables mechanotransduction and influences stem cell fate. This newly established approach influences stem cell fate, independent of YAP/TAZ mechanotransduction and non‐covalent reversible binding ligands yet by various intracellular ...
Castro Johnbosco, Malin Becker, Niels Willemen, Marieke Meteling, Kannan Govindaraj, Tom Kamperman, Jeroen Leijten   +6 more
wiley   +1 more source

Proposed atomic structure of a truncated human immunodeficiency virus glycoprotein gp120 derived by molecular modeling: target CD4 recognition and docking mechanism. [PDF]

, 1993
Jerome L. Gabriel, William M. Mitchell
openalex   +1 more source

Engineering Novel DNA Nanoarchitectures for Targeted Drug Delivery and Aptamer Mediated Apoptosis in Cancer Therapeutics

Advanced Functional Materials, EarlyView.
Designer DNA Architecture‐templated Drug Conjugates (DDA‐DCs) are comprised of a DNA nanomaterial decorated with multiple drug‐loaded DNA aptamers. DDA‐DCs use a combination of multiple aptamer types, each recognizing a different membrane protein to achieve precise targeting of cancer cells.
Abhisek Dwivedy, Dhyanesh Baskaran, Gaurav Sharma, Wei Hong, Dhanush Gandavadi, Abhichart Krissanaprasit, Joonsu Han, Yusheng Liu, Zack Zimmers, Tshepo Mafokwane, Ichrak Hayah, Neha Chauhan, Mengxi Zheng, Sherwood Yao, Keith Fraser, John S. Decker, Xiaohe Jin, Hua Wang, Adam D. Friedman, Xing Wang   +19 more
wiley   +1 more source

GNNAS-Dock: Budget Aware Algorithm Selection with Graph Neural Networks for Molecular Docking [PDF]

arXiv
Molecular docking is a major element in drug discovery and design. It enables the prediction of ligand-protein interactions by simulating the binding of small molecules to proteins. Despite the availability of numerous docking algorithms, there is no single algorithm consistently outperforms the others across a diverse set of docking scenarios.
arxiv  

Molecular docking towards drug discovery [PDF]

, 1996
Daniel A. Gschwend, Andrew C. Good, Irwin D. Kuntz   +2 more
openalex   +1 more source

Molecular Docking and Structure-Based Drug Design Strategies

Molecules, 2015
Pharmaceutical research has successfully incorporated a wealth of molecular modeling methods, within a variety of drug discovery programs, to study complex biological and chemical systems.
L. Ferreira, Ricardo N Dos Santos, G. Oliva, A. Andricopulo   +3 more
semanticscholar   +1 more source

Intraoral Drug Delivery: Bridging the Gap Between Academic Research and Industrial Innovations

Advanced Functional Materials, EarlyView.
Intraoral drug delivery offers a promising route for systemic and localized therapies, yet challenges such as enzymatic degradation, limited permeability, and microbial interactions hinder efficacy. This figure highlights innovative strategies—mucoadhesive materials, enzyme inhibitors, and permeation enhancers—to overcome these barriers.
Soheil Haddadzadegan, Simona Summonte, Fabrizio Ricci, Matthias Sandmeier, Andreas Bernkop‐Schnürch   +4 more
wiley   +1 more source

Smiles2Dock: an open large-scale multi-task dataset for ML-based molecular docking [PDF]

arXiv
Docking is a crucial component in drug discovery aimed at predicting the binding conformation and affinity between small molecules and target proteins. ML-based docking has recently emerged as a prominent approach, outpacing traditional methods like DOCK and AutoDock Vina in handling the growing scale and complexity of molecular libraries. However, the
arxiv  

Automatic identification and representation of protein binding sites for molecular docking [PDF]

, 1997
Jim Ruppert, Will Welch, Ajay N. Jain
openalex   +1 more source

Urine‐Stable Aptamer‐Conjugated Gold Nanorods for the Early Detection of High‐Grade Bladder Cancer Residual Disease

Advanced Healthcare Materials, Volume 14, Issue 10, April 15, 2025.
Aptamer (A) conjugated gold nanorods (B) for the recognition of bladder cancer cells expressing the integrin α5β1 (C) and the visualization of the targeted GNRs@Chit‐Apt‐Itg by photoacoustic imaging at the surface of the orthotopic bladder cancer in the preclinical model (D).
Chiara Venegoni, Silvia Tortorella, Alessandra Caliendo, Irene Locatelli, Alessia Di Coste, Erica Locatelli, Filippo Capancioni, Emanuela Bua, Simona Camorani, Andrea Salonia, Francesco Montorsi, Jithin Jose, Marco Moschini, Laura Cerchia, Mauro Comes Franchini, Massimo Alfano   +15 more
wiley   +1 more source