Crystallographic analysis reveals the structural basis of the high-affinity binding of iophenoxic acid to human serum albumin [PDF]
, 2011 23.04.14 KB.
Chung, Chun-wa +8 more
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An Analysis of Proteochemometric and Conformal Prediction Machine Learning Protein-Ligand Binding Affinity Models [PDF]
, 2020 Protein-ligand binding affinity is a key pharmacodynamic endpoint in drug discovery. Sole reliance on experimental design, make, and test cycles is costly and time consuming, providing an opportunity for computational methods to assist.
conor, parks, Zied, Gaieb, Rommie, Amaro
core +1 more source
FEBS Letters, EarlyView.Inositol pyrophosphates are energy‐rich signaling molecules that perform critical functions in cells. Three different families of phosphatases hydrolyze the β phosphate of the inositol pyrophosphate molecules: two have narrow specificities and one is promiscuous.
Ronda J. Rolfes
wiley +1 more source
Frontiers in ImmunologyThe antibody- FcγRIIIa interaction triggers key immunological responses such as antibody dependent cellular cytotoxicity (ADCC), making it highly important for therapeutic mAbs.
Christoph Gstöttner +8 more
doaj +1 more source
Learning protein-ligand binding affinity with atomic environment vectors
Journal of Cheminformatics, 2021 Scoring functions for the prediction of protein-ligand binding affinity have seen renewed interest in recent years when novel machine learning and deep learning methods started to consistently outperform classical scoring functions.
Rocco Meli +4 more
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Molecular cloning of the high affinity calcium binding protein (calreticulin) of skeletal muscle sarcoplasmic reticulum [PDF]
, 1989 A cDNA clone encoding the high affinity Ca2+-binding protein (HACBP) of rabbit skeletal muscle sarcoplasmic reticulum was isolated and sequenced. The cDNA encoded a protein of 418 amino acids, but a comparison of the deduced amino acid sequence with the ...
Reithmeier, F. A. F. +4 more
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FEBS Letters, EarlyView.CT10 regulator of kinase (CRK) and CRK‐Like (CRKL) are signaling adaptors driving cell adhesion, motility, differentiation, and proliferation. SH2‐domain containing (SH) proteins are enriched in YXXP motifs which when phosphorylated create preferred binding sites for CRK family SH2 domains.
Phoebe M. Cousens +8 more
wiley +1 more source
Directed evolution and structural analysis of an OB-fold domain towards a specifc binding reagent [PDF]
, 2011 Interactions between proteins are a central concept in biology, and understanding and manipulation of these interactions is key to advancing biological science.
Steemson, John Durand
core
A Computational Binding Affinity Estimation Protocol with Maximum Utilization of Experimental Data : A Case Study for Adenosine Receptor [PDF]
, 2020 Estimating binding affinity between a target protein and the ligand is a crucial step in the drug discovery process. In computer aided drug design (CADD), the problem can be divided into two steps, finding the correct binding pose and estimating binding ...
Il Kwon, Cho +2 more
core +1 more source
Reconstructing enzyme evolution by protein engineering
FEBS Letters, EarlyView.Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler +2 more
wiley +1 more source