DNA tension-modulated translocation and loop extrusion by SMC complexes revealed by molecular dynamics simulations

• Published in: Nucleic acids research Vol. 50; no. 9; pp. 4974 - 4987
• Main Authors: Nomidis, Stefanos K, Carlon, Enrico, Gruber, Stephan, Marko, John F
• Format: Journal Article
• Language: English
• Published: England Oxford University Press 20.05.2022
• Subjects: Adenosine Triphosphate - metabolism; Cell Cycle Proteins - metabolism; Chromosomes - metabolism; DNA - chemistry; Gene regulation, Chromatin and Epigenetics; Humans; Molecular Conformation; Molecular Dynamics Simulation; Translocation, Genetic

Structural Maintenance of Chromosomes (SMC) complexes play essential roles in genome organization across all domains of life. To determine how the activities of these large (≈50 nm) complexes are controlled by ATP binding and hydrolysis, we developed a molecular dynamics model that accounts for conf...