INQUIMAE   12526
INSTITUTO DE QUIMICA, FISICA DE LOS MATERIALES, MEDIOAMBIENTE Y ENERGIA
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
“¿Cómo afectan las cargas en la cinética de unión y plegado de proteínas?”
Autor/es:
ITHURALDE, RE; BEST, R; TURJANSKI, AG
Lugar:
Buenos Aires
Reunión:
Congreso; XL reunión de la Sociedad Argentina de Biofísica; 2011
Institución organizadora:
Sociedad Argentina de Biofísica
Resumen:
Go models have been succesfully used to study processes of folding and binding of proteins. Many groups have succeeded in reproducing experimental results by meanns of molecular dynamics using models based on the Karanicolas-Brooks (2002) approach. In these models, the potential energy surface is represented by an amino-acid-type dependent (Miyazawa-Jernigan) attractive term for native contacts and a repulsive potential for non-native contacts (as well as a harmonic angle potential with the minimun at the native angle and a transferable dihedral potential). In this work we consider adding different electrostatic potentials (long range interactions) to the previous models and study the effect con the kinetic constants of binding and unbinding, the termodynamic constant of binding and the potential of mean force on the KIX-pKID system.