Sequential Dynamics of Stearoyl-CoA Desaturase-1(SCD1)/Ligand Binding and Unbinding Mechanism: A Computational Study.

Petroff, Anna B; Weir, Rebecca L; Yates, Charles R; Ng, Joseph D; Baudry, Jerome

Petroff, Anna B; Weir, Rebecca L; Yates, Charles R; Ng, Joseph D; Baudry, Jerome.

Petroff AB; Department of Biological Sciences, The University of Alabama in Huntsville, Huntsville, AL 35899, USA.
Weir RL; Department of Biochemistry and Cellular and Molecular Biology, The University of Tennessee, Knoxville, TN 37996, USA.
Yates CR; National Center for Natural Products Research, The University of Mississippi School of Pharmacy, Oxford, MS 38677, USA.
Ng JD; Department of Biological Sciences, The University of Alabama in Huntsville, Huntsville, AL 35899, USA.
Baudry J; Department of Biological Sciences, The University of Alabama in Huntsville, Huntsville, AL 35899, USA.

Biomolecules ; 11(10)2021 09 30.

Article en En | MEDLINE | ID: mdl-34680068

Asunto(s)

Simulación por Computador; Estearoil-CoA Desaturasa/metabolismo; Apoproteínas/metabolismo; Coenzima A/metabolismo; Humanos; Enlace de Hidrógeno; Interacciones Hidrofóbicas e Hidrofílicas; Ligandos; Unión Proteica; Estearoil-CoA Desaturasa/química; Especificidad por Sustrato; Termodinámica

Palabras clave

delta-9 desaturase; desaturase; membrane protein; molecular dynamics; molecular modeling; stearoyl-CoA desaturase-1

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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Estearoil-CoA Desaturasa / Simulación por Computador Límite: Humans Idioma: En Año: 2021 Tipo del documento: Article

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