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Comparing pharmacophore models derived from crystallography and NMR ensembles

NMR and X-ray crystallography are the two most widely used methods for determining protein structures. Our previous study examining NMR vs X-Ray sources of protein conformations showed improved performance with NMR structures when used in our Multiple Protein Structures (MPS) method for receptor-bas...

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Publicat a:J Comput Aided Mol Des
Autors principals: Ghanakota, Phani, Carlson, Heather A.
Format: Artigo
Idioma:Inglês
Publicat: 2017
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC6549502/
https://ncbi.nlm.nih.gov/pubmed/29047011
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-017-0077-7
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