CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues

• Published in: Advances in protein chemistry and structural biology Vol. 96; p. 235
• Main Authors: Jo, Sunhwan, Cheng, Xi, Islam, Shahidul M, Huang, Lei, Rui, Huan, Zhu, Allen, Lee, Hui Sun, Qi, Yifei, Han, Wei, Vanommeslaeghe, Kenno, MacKerell, Jr, Alexander D, Roux, Benoît, Im, Wonpil
• Format: Journal Article
• Language: English
• Published: Netherlands 2014
• Subjects: Animals; Computer Graphics; Humans; Internet; Ligands; Models, Molecular; Molecular Dynamics Simulation; Protein Conformation; Proteins - chemistry; Proteins - metabolism; Software; User-Computer Interface; Ligand force field; Spectroscopic probes; MTS reagent; Spin label; Unnatural amino acid; Double electron electron resonance

CHARMM-GUI, http://www.charmm-gui.org, is a web-based graphical user interface to prepare molecular simulation systems and input files to facilitate the usage of common and advanced simulation techniques. Since it is originally developed in 2006, CHARMM-GUI has been widely adopted for various purpos...