Induced fit in liver X receptor beta: A molecular dynamics‐based investigation

Induced fit in liver X receptor beta: A molecular dynamics‐based investigation

Source :

• Proteins: Structure, Function, and Bioinformatics [ 0887-3585 ] ; 2008-08-15.

Descripteurs français

• KwdFr :
  • Cristallographie aux rayons X, Ligands, Modèles moléculaires, Protons, Protéines de liaison à l'ADN (), Protéines de liaison à l'ADN (métabolisme), Récepteurs cytoplasmiques et nucléaires (), Récepteurs cytoplasmiques et nucléaires (métabolisme), Récepteurs nucléaires orphelins, Simulation numérique, Structure secondaire des protéines, Structure tertiaire des protéines.
• MESH :
  • métabolisme : Protéines de liaison à l'ADN, Récepteurs cytoplasmiques et nucléaires.
  • Cristallographie aux rayons X, Ligands, Modèles moléculaires, Protons, Protéines de liaison à l'ADN, Récepteurs cytoplasmiques et nucléaires, Récepteurs nucléaires orphelins, Simulation numérique, Structure secondaire des protéines, Structure tertiaire des protéines.

English descriptors

• KwdEn :
  • Computer Simulation, Crystallography, X-Ray, DNA-Binding Proteins (chemistry), DNA-Binding Proteins (metabolism), Ligands, Models, Molecular, Orphan Nuclear Receptors, Protein Structure, Secondary, Protein Structure, Tertiary, Protons, Receptors, Cytoplasmic and Nuclear (chemistry), Receptors, Cytoplasmic and Nuclear (metabolism).
• MESH :
  • chemical , chemistry : DNA-Binding Proteins, Receptors, Cytoplasmic and Nuclear.
  • chemical , metabolism : DNA-Binding Proteins, Receptors, Cytoplasmic and Nuclear.
• Teeft :
  • Acidic group, Acidic moiety, Activation function, Activation helix, Active conformation, Agonist, Average distance, Average rmsd, Average rmsd value, Binding domain, Binding pocket, Biol, Biol chem, Bisphenyl group, Bisphenyl moiety, Campus scientifique, Carboxylate moiety, Chem, Color figure, Complexed, Comput chem, Computer Simulation, Conformation, Crucial role, Crystal structure, Crystal structures, Crystallography, X-Ray, Different shapes, Drug design, Dynamics, Electrostatic interaction, Equilibration phase, Extreme shapes, Groupe orpailleur, Helix, Hydrophobic, Interaction energy, Laboratoires fournier, Ligand, Ligand binding, Ligand binding domain, Ligand binding pocket, Ligands, Lxrb, Lxrb complexed, Lxrb lbds complexed, Models, Molecular, Moiety, Molecular dynamics, Molecular dynamics simulations, Molecular dynamics study, Nuclear receptor, Nuclear receptors, Online, Online issue, Orphan Nuclear Receptors, Phenylsulfonyl group, Phenylsulfonyl moiety, Phys chem, Polar residues, Present study, Protein Structure, Secondary, Protein Structure, Tertiary, Protonation, Protonation state, Protons, Receptor, Receptor beta, Reference system, Reference systems, Residue, Respective ligand, Salt bridge, Sbdd strategy, Side chain, Simulation, Solvay pharmaceuticals company, Structural analysis, Synthetic ligands, Trajectory, Water molecule, Water molecules.

Abstract

• https://api.istex.fr/ark:/67375/WNG-1GHF12RV-X/fulltext.pdf

Affiliations:

• France
• Bourgogne, Bourgogne-Franche-Comté, Grand Est, Lorraine (région)
• Daix, Vandœuvre‐lès‐Nancy

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