Ontology highlight
ABSTRACT:
SUBMITTER: Shave S
PROVIDER: S-EPMC8243321 | biostudies-literature | 2021 Jun
REPOSITORIES: biostudies-literature
Shave Steven S Chen Yan-Kai YK Pham Nhan T NT Auer Manfred M
Journal of chemical information and modeling 20210518 6
Understanding multicomponent binding interactions in protein-ligand, protein-protein, and competition systems is essential for fundamental biology and drug discovery. Hand-deriving equations quickly become unfeasible when the number of components is increased, and direct analytical solutions only exist to a certain complexity. To address this problem and allow easy access to simulation, plotting, and parameter fitting to complex systems at equilibrium, we present the Python package PyBindingCurv ...[more]