Ontology highlight
ABSTRACT:
SUBMITTER: Hsu PC
PROVIDER: S-EPMC5939954 | biostudies-literature | 2017 Oct
REPOSITORIES: biostudies-literature
Hsu Pin-Chia PC Bruininks Bart M H BMH Jefferies Damien D Cesar Telles de Souza Paulo P Lee Jumin J Patel Dhilon S DS Marrink Siewert J SJ Qi Yifei Y Khalid Syma S Im Wonpil W
Journal of computational chemistry 20170803 27
A complex cell envelope, composed of a mixture of lipid types including lipopolysaccharides, protects bacteria from the external environment. Clearly, the proteins embedded within the various components of the cell envelope have an intricate relationship with their local environment. Therefore, to obtain meaningful results, molecular simulations need to mimic as far as possible this chemically heterogeneous system. However, setting up such systems for computational studies is far from trivial, a ...[more]