Litcius/Paper detail

Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations

Zhe Huai, Huaiyu Yang, Zhaoxi Sun

2021Journal of Computer-Aided Molecular Design22 citationsDOI

Topics & Concepts

Purine nucleoside phosphorylaseChemistryLigand (biochemistry)Small moleculePlasma protein bindingStereochemistryComputational chemistryPurineBiochemistryEnzymeReceptorBiochemical and Molecular ResearchEnzyme Structure and FunctionAdenosine and Purinergic Signaling
Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations | Litcius