RPnet: A Reverse Projection Based Neural Network for Coarse-graining Metastable Conformational States for Protein Dynamics

Phys. Chem. Chem. Phys., 2021, Accepted Manuscript DOI: 10.1039/D1CP03622J, PaperHanlin Gu, Wei Wang, Siqin Cao, Ilona Christy Unarta, Yuan Yao, Fu Kit Sheong, Xuhui Huang Markov State Model (MSM) is a powerful tool for modeling the long timescale dynamics based on numerous short molecular dynamics (MD) simulation trajectories, which makes it a useful tool for... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - December 8, 2021 Category: Chemistry Authors: Hanlin Gu Source Type: research