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

• Published in: Bioinformatics Vol. 38; no. 1; pp. 273 - 274
• Main Authors: Motono, Chie, Yanagida, Shunsuke, Sato, Miwa, Hirokawa, Takatsugu
• Format: Journal Article
• Language: English
• Published: England Oxford University Press (OUP) 22.12.2021; Oxford University Press
• Subjects: Applications Notes; Molecular Dynamics Simulation; Proteins; Proteins - chemistry; Software

Abstract 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...