Results 151 to 160 of about 4,185,495 (377)

Combining Network Pharmacology, Molecular Docking, Molecular Dynamics Simulation, and Experimental Validation to Uncover the Efficacy and Mechanisms of Si-Miao-Yong-An Decoction in Diabetic Wound Healing

Journal of Inflammation Research
Shujuan Zhang,1,* Yiming Shao,2,* Ranran Jin,2 Baodong Ma2 1Department of Laboratory Medicine, Zhengzhou Central Hospital Affiliated to Zhengzhou University, Zhengzhou, People’s Republic of China; 2Center of Stem Cell and Regenerative Medicine ...
Zhang S, Shao Y, Jin R, Ma B
doaj  

Responsive Polyelectrolyte Brushes in Applications: Functions, Stimuli, and Design Considerations

Advanced Materials, EarlyView.
With advances in the synthesis of polyelectrolyte brushes, these coatings of surface‐grafted chains find uses in an increasing number of applications. This review summarizes three core aspects of these brushes: how they introduce functionality to surfaces; how external stimuli influence their properties; and what practical considerations should be ...
Leon A. Smook, Andreas Dahlin, Karin Schroën, Sissi de Beer   +3 more
wiley   +1 more source

Artificial Intelligence‐Driven Nanoarchitectonics for Smart Targeted Drug Delivery

Advanced Materials, EarlyView.
This perspective introduces an artificial intelligence (AI)‐driven nanoarchitectonics framework for targeted drug delivery, combining database‐guided nanocarrier design, machine learning (ML)‐assisted surface engineering with a designed targeting system, and in silico modeling for dynamic optimization.
Hayeon Bae, Hyunsub Ji, Konstantin Konstantinov, Ronald Sluyter, Katsuhiko Ariga, Yong Ho Kim, Jung Ho Kim   +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

Facile Fabrication of Large‐Area Biofunctionalized Metallic Nanostructures for High Performance Affinity Plasmonic Biosensors

Advanced Materials Technologies, EarlyView.
A novel approach enables facile and reproducible fabrication of gold nanoparticle arrays with tunable near‐infrared plasmonic properties and enhanced sensing accuracy. Using advanced lithography and ion milling, combined with innovative surface chemistry, the approach minimizes ohmic losses and non‐specific sorption, improving biomolecular detection ...
Dario Cattozzo Mor, Adam Benjamin Plšek, Prasanth Asokan, Van‐Truc Vu, Gizem Aktug, Elena Giordani, Elena Ricciardi, Jiri Perutka, Kamil Önder, Ladislav Fekete, Zdeněk Hubička, Chun‐Jen Huang, Jakub Dostalek   +12 more
wiley   +1 more source

Critical evaluation of search algorithms for automated molecular docking and database screening [PDF]

, 1997
Todd Ewing, Irwin D. Kuntz
openalex   +1 more source

Iterative Use of Regiocomplementary Flavin‐Dependent Halogenases Gives Access to Unique Halogenation Patterns

Advanced Synthesis &Catalysis, EarlyView.
The halide motif is ubiquitous in organic synthesis, facilitating fine‐tuning of molecular properties and functionalization using substitution and cross‐coupling reactions. Combination of different flavin‐dependent tryptophan halogenases enables the installation of novel halogenation patterns on l‐tryptophan, which can be orthogonally addressed in ...
Nicolai Montua, Bjarne Scharkowski, Simon Bork, Hartmut H. Niemann, Norbert Sewald   +4 more
wiley   +1 more source

Molecular docking towards drug discovery [PDF]

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

Integrating Visible‐Light Photocatalysis and Enzymes for the Stereoselective Synthesis of Alcohols and Amines

Advanced Synthesis &Catalysis, EarlyView.
The integration between visible‐light photocatalysis and biocatalysis has the potential to greatly improve modern organic synthesis by combining the production of valuable synthetic intermediates under mild photochemical conditions with the high degree of stereoselectivity reached by enzymes. The review collects the recent efforts in the photoenzymatic
Stefano Parisotto, Cristina Prandi
wiley   +1 more source

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

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