Results 151 to 160 of about 410,461 (311)

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

FEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
wiley   +1 more source

Domain discovery method for topological profile searches in protein structures

, 2004
We describe a method for automated domain discovery for topological profile searches in protein structures. The method is used in a system TOPStructure for fast prediction of CATH classification for protein structures (given as PDB files).
Viksna, J, Juris Viksna, Gilbert, D, Gilleain Torrance, Torrance, G, David Gilbert   +5 more
core  

UiO‐66 metal–organic frameworks in biomedicine: From structural tunability to bioimaging, photodiagnostics, and photodynamic cancer therapy

FEBS Open Bio, EarlyView.
UiO‐66(Zr) metal–organic frameworks are chemically stable, biocompatible, and highly tunable nanomaterials. Their modular structure enables controlled drug delivery, multimodal bioimaging, and light‐activated photodynamic therapy, supporting integrated diagnostic and therapeutic (theranostic) applications in cancer and biomedical research.
Veronika Huntošová, Grigorii Rakhalskii, Miroslav Almáši   +2 more
wiley   +1 more source

Protein Docking mit weichen Volumenmodellen

, 2003
Neumann S. Soft volume models for protein-protein docking. Bielefeld (Germany): Bielefeld University; 2003.Der Begriff "Protein Docking" beschreibt die Frage, ob und wie zwei gegebene Proteine interagieren, ausgehend von der 3D Struktur.
Neumann, Steffen
core  

The crystal structure of the Borrelia burgdorferi nicotinamidase BBE22 resolves a long‐standing annotation error

FEBS Open Bio, EarlyView.
The crystal structure of Borrelia burgdorferi nicotinamidase (PncA/BBE22) reveals the correct full‐length protein initiated from a non‐canonical AUU start codon. The structure validates previous biochemical findings and resolves a long‐standing annotation error, demonstrating that the truncated database sequence is structurally incompatible with the ...
Kalvis Brangulis
wiley   +1 more source

Human protein function prediction: application of machine learning for integration of heterogeneous data sources

, 2010
Experimental characterisation of protein cellular function can be prohibitively expensive and take years to complete. To address this problem, this thesis focuses on the development of computational approaches to predict function from sequence.
Lobley, A.E.
core  

Emerging insights into CC and CXC chemokines and their receptors in Mycobacterium tuberculosis infection

FEBS Open Bio, EarlyView.
The dual roles of CC and CXC chemokines in distinguishing active, latent, and subclinical tuberculosis were reviewed, along with an evaluation of their potential as diagnostic biomarkers and therapeutic targets to advance precision medicine in tuberculosis management. The graphical abstract was generated with AI assistance (Gemini 3.0).
Xuying Yin, Dangsheng Xiao, Jiezuan Yang
wiley   +1 more source

Swarm Intelligence Based Protein Conformational Search Algorithm. [PDF]

, 2007
There is no doubt of the role that proteins play in the biological processes inside the human body. Proteins can perform their function only when they fold into their tertiary structure.
Abdullah, Rosni, Bahamish, Hesham Awadh Abdallah, Salam, Rosalina Abdul   +2 more
core  

Getting to Know Your Neighbor: Protein Structure Prediction Comes of Age with Contextual Machine Learning

, 2019
The folding of a protein structure is a process governed by both local and nonlocal interactions. While incorporating local dependencies into a machine learning algorithm for protein structure prediction is simple and has been exploited for some time ...
Thomas Litfin, Zhou, Yaoqi, Hanson, Jack, Yaoqi Zhou, Litfin, Thomas, Yuedong Yang, Jack Hanson, Kuldip K. Paliwal, Paliwal, Kuldip K, Yang, Yuedong   +9 more
core   +1 more source

Directed evolution of enzymes at the crossroads of tradition and innovation

FEBS Open Bio, EarlyView.
An iterative cycle of data‐driven enzyme optimization comprising four stages: genetic diversification of a template enzyme, expression of protein variants, high‐throughput evaluation, and machine‐learning‐guided redesign of the next variant library.
Maria Tomkova, Andrej Mirossay, Erik Sedlak   +2 more
wiley   +1 more source