Ab initio modeling and molecular dynamics simulation of the alpha 1b-adrenergic receptor activation.
Data(s) |
1998
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Resumo |
This work describes the ab initio procedure employed to build an activation model for the alpha 1b-adrenergic receptor (alpha 1b-AR). The first version of the model was progressively modified and complicated by means of a many-step iterative procedure characterized by the employment of experimental validations of the model in each upgrading step. A combined simulated (molecular dynamics) and experimental mutagenesis approach was used to determine the structural and dynamic features characterizing the inactive and active states of alpha 1b-AR. The latest version of the model has been successfully challenged with respect to its ability to interpret and predict the functional properties of a large number of mutants. The iterative approach employed to describe alpha 1b-AR activation in terms of molecular structure and dynamics allows further complications of the model to allow prediction and interpretation of an ever-increasing number of experimental data. |
Identificador |
https://serval.unil.ch/?id=serval:BIB_010485B66D7C isbn:1046-2023 (Print) pmid:9571086 doi:10.1006/meth.1998.0586 isiid:000073385500007 |
Idioma(s) |
en |
Fonte |
Methods, vol. 14, no. 3, pp. 302-317 |
Palavras-Chave | #Amino Acid Sequence; Bacteriorhodopsins/chemistry; Computer Simulation; GTP-Binding Proteins/metabolism; Models, Molecular; Molecular Sequence Data; Mutagenesis; Receptors, Adrenergic, alpha-1/chemistry; Receptors, Adrenergic, alpha-1/genetics; Rhodopsin/chemistry; Sequence Homology, Amino Acid; Static Electricity |
Tipo |
info:eu-repo/semantics/article article |