Ontology highlight
ABSTRACT:
SUBMITTER: Gallicchio E
PROVIDER: S-EPMC3445424 | biostudies-literature | 2011
REPOSITORIES: biostudies-literature
Gallicchio Emilio E Levy Ronald M RM
Advances in protein chemistry and structural biology 20110101
We review recent theoretical and algorithmic advances for the modeling of protein ligand binding free energies. We first describe a statistical mechanics theory of noncovalent association, with particular focus on deriving the fundamental formulas on which computational methods are based. The second part reviews the main computational models and algorithms in current use or development, pointing out the relations with each other and with the theory developed in the first part. Particular emphasi ...[more]