PACSAB Server: A Web-Based Tool for the Study of Aggregation and the Conformational Ensemble of Disordered and Folded Proteins.
Int J Mol Sci
; 25(11)2024 May 30.
Article
de En
| MEDLINE
| ID: mdl-38892222
ABSTRACT
We present in this article the PACSAB server, which is designed to provide information about the structural ensemble and interactions of both stable and disordered proteins to researchers in the field of molecular biology. The use of this tool does not require any computational skills as the user just needs to upload the structure of the protein to be studied; the server runs a simulation with the PACSAB model, a highly accurate coarse-grained model that is much more efficient than standard molecular dynamics for the exploration of the conformational space of multiprotein systems. The trajectories generated by the simulations based on this model reveal the propensity of the protein under study for aggregation, identify the residues playing a central role in the aggregation process, and reproduce the whole conformational space of disordered proteins. All of this information is shown and can be downloaded from the web page.
Mots clés
Texte intégral:
1
Collection:
01-internacional
Base de données:
MEDLINE
Sujet principal:
Conformation des protéines
/
Logiciel
/
Pliage des protéines
/
Internet
Langue:
En
Journal:
Int J Mol Sci
Année:
2024
Type de document:
Article
Pays d'affiliation:
Espagne
Pays de publication:
Suisse