MDContactCom: a tool to identify differences of protein molecular dynamics from two MD simulation trajectories in terms of interresidue contacts

SUMMARY: Comparing results from multiple MD simulations performed under different conditions is essential during the initial stages of analysis. We propose a tool called MD Contact Comparison (MDContactCom) that compares residue-residue contact fluctuations of two MD trajectories, quantifies the dif...

Descripción completa

Detalles Bibliográficos
Autores principales: Motono, Chie, Yanagida, Shunsuke, Sato, Miwa, Hirokawa, Takatsugu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2021
Materias:
Applications Notes
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8696114/
https://www.ncbi.nlm.nih.gov/pubmed/34289011
http://dx.doi.org/10.1093/bioinformatics/btab538

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8696114/
https://www.ncbi.nlm.nih.gov/pubmed/34289011
http://dx.doi.org/10.1093/bioinformatics/btab538

Ejemplares similares