Exploring c‐Met kinase flexibility by sampling and clustering its conformational space

Exploring c‐Met kinase flexibility by sampling and clustering its conformational space

Source :

• Proteins: Structure, Function, and Bioinformatics [ 0887-3585 ] ; 2012-04.

Descripteurs français

• KwdFr :
  • Activation enzymatique, Adénosine triphosphate (), Algorithmes, Analyse de regroupements, Conformation des protéines, Cristallographie aux rayons X, Humains, Liaison aux protéines, Ligands, Phosphotransferases (), Protéines proto-oncogènes c-met (), Simulation de dynamique moléculaire, Sites de fixation.
• MESH :
  • Activation enzymatique, Adénosine triphosphate, Algorithmes, Analyse de regroupements, Conformation des protéines, Cristallographie aux rayons X, Humains, Liaison aux protéines, Ligands, Phosphotransferases, Protéines proto-oncogènes c-met, Simulation de dynamique moléculaire, Sites de fixation.

English descriptors

• KwdEn :
  • Adenosine Triphosphate (chemistry), Algorithms, Binding Sites, Cluster Analysis, Crystallography, X-Ray, Enzyme Activation, Humans, Ligands, Molecular Dynamics Simulation, Phosphotransferases (chemistry), Protein Binding, Protein Conformation, Proto-Oncogene Proteins c-met (chemistry).
• MESH :
  • chemical , chemistry : Adenosine Triphosphate, Phosphotransferases, Proto-Oncogene Proteins c-met.
• Teeft :
  • Active form, Algorithm, Algorithms, Available structures, Backbone part, Bagglo, Binding Sites, Binding events, Binding site, Biol, Campus scientifique, Chem, Cluster, Cluster Analysis, Cluster analysis, Conformation, Conformation number, Conformational, Conformational frames, Conformational selection, Conformational space, Conformers, Conformers ranges, Criterion function, Crystallography, X-Ray, Data points, Default parameters, Different clusters, Different conformations, Docking, Drug design, Drug discovery, Dynamics, Ensemble docking, Enzyme Activation, General flowchart, Helix, Helix bundle, Holo, Holo structures, Humans, Important aspect, Intradomain movements, Kinase, Kinase domain, Kinase flexibility figure, Kinase structures, Large body, Large number, Ligand, Ligand binding, Ligand docking, Ligands, Molecular Dynamics Simulation, Molecular docking, Molecular dynamics, Molecular dynamics simulations, Molecular recognition, Nancy universite, Next step, Nm1_md, Nm1_md representative, Nm_md, Nm_md sample, Normal mode, Normal modes, Normal modes calculations, Other hand, Other structures, Other techniques, Preliminary analysis, Principal component analysis, Protein Binding, Protein Conformation, Protein backbone, Protein flexibility, Protein structures, Receptor, Receptor conformations, Receptor flexibility, Representative conformations, Representative conformers, Rmsd, Rmsd comparison, Rmsd maps, Rmsd values, Sampling method, Sampling procedure, Secondary structures, Simulation, Stress function, Structural elements, Test case, Trajectory, Virtual screening, Wiley periodicals, Wordom, Wordom analysis.
• mix :
  • c-Met protein-ligand complexes, conformational preselection, conformational sampling, induced fit, protein flexibility.

Abstract

• https://api.istex.fr/ark:/67375/WNG-4CL592TS-4/fulltext.pdf
• https://hal.inria.fr/hal-00756791

Affiliations:

• France, Norvège
• Grand Est, Lorraine (région), Østlandet
• Oslo, Vandœuvre‐lès‐Nancy
• Nancy-Université

Links toward previous steps (curation, corpus...)

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