Results 121 to 130 of about 1,037,789 (311)

Binding affinity analysis of the interaction between Homer EVH domain and ryanodine receptor with biosensors based on imaging ellipsometry

, 2016
The interaction between the Homer EVH domain and RyR plays an important role in calcium signaling channels in the heart and the skeletal muscles. A biosensor based on imaging ellipsometry was used to analyze the binding affinity between the Homer EVH ...
Jin, G (reprint author), Chinese Acad Sci, Beijing Key Lab Engn Construct & Mechanobiol, Inst Mech, 15 Bei Si Huan West Rd, Beijing 100190, Peoples R China., 牛宇, Zhang KM, 康腾飞, 靳刚, Jin, G (reprint author), Chinese Acad Sci, Inst Mech, NML, 15 Bei Si Huan West Rd, Beijing 100190, Peoples R China., Yin CC, Niu, Y   +7 more
core   +1 more source

PPB-Affinity: Protein-Protein Binding Affinity dataset for AI-based protein drug discovery

Scientific Data
Prediction of protein-protein binding (PPB) affinity plays an important role in large-molecular drug discovery. Deep learning (DL) has been adopted to predict the changes of PPB binding affinities upon mutations, but there was a scarcity of studies ...
Huaqing Liu, Peiyi Chen, Xiaochen Zhai, Ku-Geng Huo, Shuxian Zhou, Lanqing Han, Guoxin Fan   +6 more
doaj   +1 more source

Versatile vector tools for efficient protein screening across multiple expression systems

FEBS Open Bio, EarlyView.
A unified vector toolkit enables rapid protein expression screening across E. coli, insect, and mammalian cells. A single primer pair amplifies the target gene, which is inserted into any vector via a standardized interface. This streamlined workflow eliminates repeated cloning steps, accelerating the identification of optimal expression conditions for
Zhimin Zhu, Yaqing Liu, Lei Qin, Feng Yu, Qisheng Wang, Yahui Liu   +5 more
wiley   +1 more source

Identification of High Affinity Fatty Acid Binding Sites on Human Serum Albumin by MM-PBSA Method [PDF]

Human serum albumin (HSA) has seven common fatty acid (FA) binding sites. In this study, we used the molecular mechanics Poisson-Boltzmann surface area method to identify high affinity FA binding sites on HSA in terms of binding free energy.
Fujiwara, Shin-ichi, 100000236, 4875, 00362880, 20231996, 96, Amisaki, Takashi, 100000075   +7 more
core  

Binding Affinity Prediction with 3D Machine Learning: Training Data and Challenging External Testing

Protein-ligand binding affinity prediction is one of the major challenges in computational assisted drug discovery. An active area of research uses machine learning (ML) models trained on 3D structures of protein ligand complexes to predict binding modes,
Gary , Tresadern, Lili, Cao, Jose Carlos, Gómez-Tamayo, Mazen, Ahmad   +3 more
core   +1 more source

Dynamics and thermodynamics of protein-ligand interactions [PDF]

, 2012
Complex networks of protein-ligand interactions underpin cellular function and communication. Disease can arise from disruption of these networks through the alteration of protein-ligand interaction affinities, for example by protein mutation or ligand ...
Malham, Richard William
core  

Learning from the Ligand: Using Ligand-Based Features to Improve Binding Affinity Prediction

, 2019
Machine learning scoring functions for protein-ligand binding affinity prediction have been found to consistently outperform classical scoring functions.
Fergus, Boyles, Charlotte M, Deane, Garrett, Morris   +2 more
core   +1 more source

A high affinity switch for cAMP in the HCN pacemaker channels

Nature Communications
Binding of cAMP to Hyperpolarization activated cyclic nucleotide gated (HCN) channels facilitates pore opening. It is unclear why the isolated cyclic nucleotide binding domain (CNBD) displays in vitro lower affinity for cAMP than the full-length channel ...
Alessandro Porro, Andrea Saponaro, Roberta Castelli, Bianca Introini, Anahita Hafez Alkotob, Golnaz Ranjbari, Uta Enke, Jana Kusch, Klaus Benndorf, Bina Santoro, Dario DiFrancesco, Gerhard Thiel, Anna Moroni   +12 more
doaj   +1 more source

The Binding Affinities of Serum Proteins to Nanoparticles

Journal of the American Chemical Society
Nanoparticles can be coated with targeting ligands to deliver medical agents to specific cells. Serum protein adsorption affects the binding of nanoparticles to target cells. We hypothesized that serum proteins and target receptors compete for binding to nanoparticles. We tested the serum protein binding affinity of 251 nanoparticle designs.
Benjamin P. Stordy, Zahra Sepahi, Gabriel D. Patrón, Wei Yang, Alexander D. Goodson, Colin Blackadar, Anthony J. Tavares, Guanyou Lin, Ayden Malekjahani, Bill Ling, Rashmi Ravichandran, Derrick R. Hicks, Mikhail G. Shapiro, Miqin Zhang, Neil P. King, David Baker, Luis A. Ricardez-Sandoval, Warren C. W. Chan   +17 more
openaire   +2 more sources

Cyclic azapeptide CD36 ligand attenuates cardiac injury and reduces long‐chain fatty acid accumulation after myocardial ischemia–reperfusion in mice

FEBS Open Bio, EarlyView.
In a murine model of myocardial ischemia and reperfusion (MI/R), the CD36 azapeptide ligand MPE‐298 reduces cardiac injury and transiently lowers left ventricular long‐chain fatty acids (LCFAs) accumulation 3 h after reperfusion, accompanied by a decrease of oxidative stress and inflammation‐associated genes' expression in the heart and adipose tissue.
Jade Gauvin, Naghme Radmannia, David N. Huynh, Liliane Ménard, Caroline Daneault, Maïté Veilleux, Ahsanullah Ahsanullah, André C. Carpentier, William D. Lubell, Matthieu Ruiz, Huy Ong, Sylvie Marleau, Simon‐Pierre Gravel   +12 more
wiley   +1 more source