Complexation to macromolecules with a large number of sites

This paper presents an approach based on the saddle-point approximation to study the equilibrium interactions between small molecules and macromolecules with a large number of sites. For this case, the application of the Darwin–Fowler method results in very simple expressions for the stoichiometric...

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Autores: Garcés, Josep Lluís, Mas i Pujadas, Francesc, Puy Llorens, Jaume
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:1999
País:España
Institución:Universitat de Lleida (UdL)
Repositorio:Repositori Obert UdL
OAI Identifier:oai:repositori.udl.cat:10459.1/46475
Acceso en línea:https://doi.org/10.1063/1.479559
http://hdl.handle.net/10459.1/46475
Access Level:acceso abierto
Palabra clave:Macromolecules
Free energy
Stoichiometry
Molecular biophysics
Macromolècules
Estequiometria
Biologia molecular
Biofísica
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spelling Complexation to macromolecules with a large number of sitesGarcés, Josep LluísMas i Pujadas, FrancescPuy Llorens, JaumeMacromoleculesFree energyStoichiometryMolecular biophysicsMacromolèculesEstequiometriaBiologia molecularBiofísicaThis paper presents an approach based on the saddle-point approximation to study the equilibrium interactions between small molecules and macromolecules with a large number of sites. For this case, the application of the Darwin–Fowler method results in very simple expressions for the stoichiometric equilibrium constants and their corresponding free energies in terms of integrals of the binding curve plus a correction term which depends on the first derivatives of the binding curve in the points corresponding to an integer value of the mean occupation number. These expressions are simplified when the number of sites tends to infinity, providing an interpretation of the binding curve in terms of the stoichiometric stability constants. The formalism presented is applied to some simple complexation models, obtaining good values for the free energies involved. When heterogeneous complexation is assumed, simple expressions are obtained to relate the macroscopic description of the binding, given by the stoichiomeric constants, with the microscopic description in terms of the intrinsic stability constants or the affinity spectrum. © 1999 American Institute of Physics.American Institute of Physics1999info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttps://doi.org/10.1063/1.479559http://hdl.handle.net/10459.1/46475reponame:Repositori Obert UdL instname:Universitat de Lleida (UdL)InglésReproducció del document publicat a: https://doi.org/10.1063/1.479559Journal of Chemical Physics, 1999, vol. 111, núm. 6, p. 2818-2828(c) American Institute of Physics, 1999info:eu-repo/semantics/openAccessoai:repositori.udl.cat:10459.1/464752026-06-24T12:42:17Z
dc.title.none.fl_str_mv Complexation to macromolecules with a large number of sites
title Complexation to macromolecules with a large number of sites
spellingShingle Complexation to macromolecules with a large number of sites
Garcés, Josep Lluís
Macromolecules
Free energy
Stoichiometry
Molecular biophysics
Macromolècules
Estequiometria
Biologia molecular
Biofísica
title_short Complexation to macromolecules with a large number of sites
title_full Complexation to macromolecules with a large number of sites
title_fullStr Complexation to macromolecules with a large number of sites
title_full_unstemmed Complexation to macromolecules with a large number of sites
title_sort Complexation to macromolecules with a large number of sites
dc.creator.none.fl_str_mv Garcés, Josep Lluís
Mas i Pujadas, Francesc
Puy Llorens, Jaume
author Garcés, Josep Lluís
author_facet Garcés, Josep Lluís
Mas i Pujadas, Francesc
Puy Llorens, Jaume
author_role author
author2 Mas i Pujadas, Francesc
Puy Llorens, Jaume
author2_role author
author
dc.subject.none.fl_str_mv Macromolecules
Free energy
Stoichiometry
Molecular biophysics
Macromolècules
Estequiometria
Biologia molecular
Biofísica
topic Macromolecules
Free energy
Stoichiometry
Molecular biophysics
Macromolècules
Estequiometria
Biologia molecular
Biofísica
description This paper presents an approach based on the saddle-point approximation to study the equilibrium interactions between small molecules and macromolecules with a large number of sites. For this case, the application of the Darwin–Fowler method results in very simple expressions for the stoichiometric equilibrium constants and their corresponding free energies in terms of integrals of the binding curve plus a correction term which depends on the first derivatives of the binding curve in the points corresponding to an integer value of the mean occupation number. These expressions are simplified when the number of sites tends to infinity, providing an interpretation of the binding curve in terms of the stoichiometric stability constants. The formalism presented is applied to some simple complexation models, obtaining good values for the free energies involved. When heterogeneous complexation is assumed, simple expressions are obtained to relate the macroscopic description of the binding, given by the stoichiomeric constants, with the microscopic description in terms of the intrinsic stability constants or the affinity spectrum. © 1999 American Institute of Physics.
publishDate 1999
dc.date.none.fl_str_mv 1999
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://doi.org/10.1063/1.479559
http://hdl.handle.net/10459.1/46475
url https://doi.org/10.1063/1.479559
http://hdl.handle.net/10459.1/46475
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció del document publicat a: https://doi.org/10.1063/1.479559
Journal of Chemical Physics, 1999, vol. 111, núm. 6, p. 2818-2828
dc.rights.none.fl_str_mv (c) American Institute of Physics, 1999
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) American Institute of Physics, 1999
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
dc.source.none.fl_str_mv reponame:Repositori Obert UdL
instname:Universitat de Lleida (UdL)
instname_str Universitat de Lleida (UdL)
reponame_str Repositori Obert UdL
collection Repositori Obert UdL
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,81155

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