Title : Molecular dynamics simulations of peptides from BPTI: a closer look at amide-aromatic interactions.

Pub. Date : 1996 Oct

PMID : 8953214






1 Functional Relationships(s)
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1 We found that a combination of the SPC/E water model and a revised GROMOS87 force field gives close agreement with experiment, while the same and other force fields in combination with SPC or TIP3P water did not reproduce the NMR data at all. Water surfactant protein C Bos taurus