Ontology highlight
ABSTRACT:
SUBMITTER: Wand AJ
PROVIDER: S-EPMC4052460 | biostudies-literature | 2013
REPOSITORIES: biostudies-literature
Topics in current chemistry 20130101
Formation of high-affinity complexes is critical for the majority of enzymatic reactions involving proteins. The creation of the family of Michaelis and other intermediate complexes during catalysis clearly involves a complicated manifold of interactions that are diverse and complex. Indeed, computing the energetics of interactions between proteins and small molecule ligands using molecular structure alone remains a great challenge. One of the most difficult contributions to the free energy of p ...[more]