eSPC: an online data-analysis platform for molecular biophysics

被引：32

作者：

Burastero, Osvaldo ^{[1
,2
]}

Niebling, Stephan ^{[3
,4
]}

Defelipe, Lucas A. ^{[3
,4
]}

Gunther, Christian ^{[3
,4
]}

Struve, Angelica ^{[3
,4
]}

Garcia Alai, Maria M. ^{[3
,4
]}

机构：

[1] Univ Buenos Aires, Fac Ciencias Exactas & Nat, Dept Quim Biol, Intendente Guiraldes 2620, Buenos Aires, DF, Argentina

[2] IQUIBICEN UBA CONICET, Intendente Guiraldes 2620, Buenos Aires, DF, Argentina

[3] EMBL Hamburg, European Mol Biol Lab, Notkestr 85, D-22607 Hamburg, Germany

[4] Ctr Struct Syst Biol, Notkestr 85, D-22607 Hamburg, Germany

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2021年 / 77卷

关键词：

eSPC; online servers; open science; molecular interactions; binding affinity; K-d; microscale thermophoresis; differential scanning fluorimetry; protein stability; T-m; ligand screening; molecular biophysics; DIFFERENTIAL SCANNING FLUOROMETRY; PROTEIN-KINASE-G; MICROSCALE THERMOPHORESIS; STABILITY;

D O I：

10.1107/S2059798321008998

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

All biological processes rely on the formation of protein-ligand, protein- peptide and protein-protein complexes. Studying the affinity, kinetics and thermodynamics of binding between these pairs is critical for understanding basic cellular mechanisms. Many different technologies have been designed for probing interactions between biomolecules, each based on measuring different signals (fluorescence, heat, thermophoresis, scattering and interference, among others). Evaluation of the data from binding experiments and their fitting is an essential step towards the quantification of binding affinities. Here, user-friendly online tools to analyze biophysical data from steady-state fluorescence spectroscopy, microscale thermophoresis and differential scanning fluorimetry experiments are presented. The modules of the data-analysis platform (https:// spc.embl-hamburg.de/) contain classical thermodynamic models and clear user guidelines for the determination of equilibrium dissociation constants (K-d) and thermal unfolding parameters such as melting temperatures (T-m).

引用

页码：1241 / 1250

页数：10

共 34 条

[1] The use of virtual screening and differential scanning fluorimetry for the rapid identification of fragments active against MEK1 [J].