Ontology highlight
ABSTRACT:
SUBMITTER: Wang L
PROVIDER: S-EPMC3966486 | biostudies-literature | 2013 Jan
REPOSITORIES: biostudies-literature
Wang Lin L Witham Shawn S Zhang Zhe Z Li Lin L Hodsdon Michael E ME Alexov Emil E
Communications in computational physics 20130101 1
Experimental data shows that the binding of human prolactin (hPRL) to human prolactin receptor (hPRLr-ECD) is strongly pH-dependent, while the binding of the same receptor to human growth hormone (hGH) is pH-independent. Here we carry <i>in silico</i> analysis of the molecular effects causing such a difference and reveal the role of individual amino acids. It is shown that the computational modeling correctly predicts experimentally determined pKa's of histidine residues in an unbound state in t ...[more]