Understanding disordered and membrane protein recognition by molecular dynamics

This thesis has been about the use of a simulation technique, known as molecular dynamics simulations, to study biophysics in proteins that have historically been difficult to study with other methods. We have studied numerous systems, namely binding to the membrane proteins Fatty acid amide hydrola...

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Detalles Bibliográficos
Autor: Stanley, Nathaniel H.
Tipo de recurso: tesis doctoral
Estado:Versión publicada
Fecha de publicación:2015
País:España
Institución:CBUC, CESCA
Repositorio:TDR. Tesis Doctorales en Red
OAI Identifier:oai:www.tdx.cat:10803/384535
Acceso en línea:http://hdl.handle.net/10803/384535
Access Level:acceso abierto
Palabra clave:Molecular dynamics
Intrinsically disordered proteins
Membrane proteins
Markov state models
Dinàmica molecular
Models d'estat de Markov
Proteïnes desordenades
Proteïnes de membranes
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Descripción
Sumario:This thesis has been about the use of a simulation technique, known as molecular dynamics simulations, to study biophysics in proteins that have historically been difficult to study with other methods. We have studied numerous systems, namely binding to the membrane proteins Fatty acid amide hydrolase (FAAH) and the sphingosine-1-phosphate receptor 1 (S1P1R), and folding in the disordered protein kinase inducible domain (KID). In each case we have been able to analyze processes and uncover behaviors that are difficult or impossible to view by other means.