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Binding of ligands to a one‐dimensional heterogeneous lattice. I. General model for the calculation of binding isotherms by a Monte Carlo approach
Author(s) -
Sturm Jean
Publication year - 1981
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.1981.360200409
Subject(s) - monte carlo method , chemistry , statistical physics , lattice (music) , kinetic monte carlo , dynamic monte carlo method , thermodynamics , computational chemistry , physics , mathematics , statistics , acoustics
A Monte Carlo method is presented to calculate equilibria for the binding of ligands to one‐dimensional heteropolymers. Equivalency with other methods suitable for particular cases was verified (i.e., matrix and combinatorial methods). The principal interest of this Monte Carlo method is in its facility for adaptation to any physically conceivable binding model and that it gives access to the parameters accounting for partial binding to each different type of site. General properties of binding isotherms with excluded‐site effects and relations between partial binding ratios and partial free site ratios are discussed. An effective calculation is presented for illustration of the method.