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Using molecular dynamics for the refinement of atomistic models of GPCRs by homology modeling

Autor
S. Lupala, C.; Rasaeifar, B.; Gomez, P.; Perez, J.
Tipus d'activitat
Article en revista
Revista
Journal of biomolecular structure and dynamics
Data de publicació
2017-08-13
Pàgina inicial
1
Pàgina final
13
DOI
https://doi.org/10.1080/07391102.2017.1357503 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/108639 Obrir en finestra nova
URL
http://www.tandfonline.com/doi/full/10.1080/07391102.2017.1357503 Obrir en finestra nova
Resum
Despite GPCRs sharing a common seven helix bundle, analysis of the diverse crystallographic structures available reveal specific features that might be relevant for ligand design. Despite the number of crystallographic structures of GPCRs steadily increasing, there are still challenges that hamper the availability of new structures. In the absence of a crystallographic structure, homology modeling remains one of the important techniques for constructing 3D models of proteins. In the present stud...
Citació
S. Lupala, C., Rasaeifar, B., Gomez, P., Perez, J. Using molecular dynamics for the refinement of atomistic models of GPCRs by homology modeling. "Journal of biomolecular structure and dynamics", 13 Agost 2017, p. 1-13.
Paraules clau
GPCRs, homology modeling, model refinement, molecular dynamics, template selection
Grup de recerca
CEBIM - Centre de Biotecnologia Molecular
GBMI - Grup de Biotecnologia Molecular i Industrial

Participants

  • Severin Lupala, Cecylia  (autor)
  • Rasaeifar, Bahareh  (autor)
  • Gomez Gutierrez, Patricia  (autor)
  • Perez Gonzalez, Juan Jesus  (autor)