BiophysicsbioRxiv
CHARMM-GUI Multicomponent Assembler for Modeling and Simulation of Complex Multicomponent Systems
N. R. Kern, J. Lee, Y. K. Choi, W. Im
The paper introduces a tool for automated molecular assembly under periodic boundary conditions, demonstrating its application on six complex systems.
DOI 10.1038/s41467-024-49700-4