Ontology highlight
ABSTRACT:
SUBMITTER: Lexa KW
PROVIDER: S-EPMC3972100 | biostudies-literature | 2014
REPOSITORIES: biostudies-literature
Lexa Katrina W KW Dolghih Elena E Jacobson Matthew P MP
PloS one 20140401 4
One of the many factors involved in determining the distribution and metabolism of a compound is the strength of its binding to human serum albumin. While experimental and QSAR approaches for determining binding to albumin exist, various factors limit their ability to provide accurate binding affinity for novel compounds. Thus, to complement the existing tools, we have developed a structure-based model of serum albumin binding. Our approach for predicting binding incorporated the inherent flexib ...[more]