Computational modeling approaches to structure− function analysis of G protein-coupled receptors

F Fanelli, PG De Benedetti - Chemical reviews, 2005 - ACS Publications
Any aspect of cell activity is regulated by extracellular signals that are recognized, decoded,
and transduced inside the cell via different classes of plasma membrane receptors. 1-3 G …

[HTML][HTML] Three-dimensional structures of membrane proteins from genomic sequencing

TA Hopf, LJ Colwell, R Sheridan, B Rost, C Sander… - Cell, 2012 - cell.com
We show that amino acid covariation in proteins, extracted from the evolutionary sequence
record, can be used to fold transmembrane proteins. We use this technique to predict …

[PDF][PDF] Update 1 of: computational modeling approaches to structure–function analysis of G protein-coupled receptors

F Fanelli, PG De Benedetti - Chemical Reviews-Columbus, 2011 - researchgate.net
Any aspect of cell activity is regulated by extracellular signals that are recognized, decoded,
and transduced inside the cell via different classes of plasma membrane receptors. 1À3 G …

Intramolecular allosteric communication in dopamine D2 receptor revealed by evolutionary amino acid covariation

YM Sung, AD Wilkins, GJ Rodriguez… - Proceedings of the …, 2016 - National Acad Sciences
The structural basis of allosteric signaling in G protein-coupled receptors (GPCRs) is
important in guiding design of therapeutics and understanding phenotypic consequences of …

A novel information-theory-based genetic distance that approximates phenotypic differences

DS Campo, A Mosa, Y Khudyakov - Journal of Computational …, 2023 - liebertpub.com
Application of genetic distances to measure phenotypic relatedness is a challenging task,
reflecting the complex relationship between genotype and phenotype. Accurate assessment …

[HTML][HTML] Recent advances in functional region prediction by using structural and evolutionary information–Remaining problems and future extensions

W Nemoto, A Saito, H Oikawa - Computational and structural biotechnology …, 2013 - Elsevier
Structural genomics projects have solved many new structures with unknown functions. One
strategy to investigate the function of a structure is to computationally find the functionally …

Characteristics analyses and comparisons of the protein structure networks constructed by different methods

S Cheng, HL Fu, DX Cui - Interdisciplinary Sciences: Computational Life …, 2016 - Springer
Protein structure networks (PSNs) were widely used in analyses of protein structure and
function. In this work, we analyzed and compared the characters of PSNs by different …

[图书][B] Medicinal protein engineering

YE Khudyakov - 2008 - taylorfrancis.com
An All-Inclusive Review of the Achievements and Trends in the Fast-Growing Protein
Engineering Field From humble beginnings like making fire for mere survival, engineering …

Physicochemical correlation between amino acid sites in short sequences under selective pressure

D Campo, Z Dimitrova, Y Khudyakov - … ISBRA 2008, Atlanta, GA, USA, May …, 2008 - Springer
The activities and properties of proteins are the result of interactions among their constitutive
amino acids. In the course of natural selection, substitutions which tend to destabilize a …

Using evolutionary couplings to optimize dimer prediction with Rosetta SymDock

Y Huang, QQ Lü, J Zeng - 2013 IEEE International Conference …, 2013 - ieeexplore.ieee.org
We present an algorithm EcSymDock which optimized SymDock using Evolution couplings
for better performance. SymDock is a protocol of Rosetta used to predict protein oligomer …