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Improving the Efficiency of Ligand-Binding Protein Design with Molecular Dynamics

Custom-designed ligand-binding proteins represent a promising class of macromolecules with exciting applications towards the design of new enzymes or the engineering of antibodies and small-molecule recruited proteins for therapeutic interventions. However, several challenges remain in designing a p...

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Bibliographische Detailangaben
Veröffentlicht in:J Chem Theory Comput
Hauptverfasser: Barros, Emilia P., Schiffer, Jamie M., Vorobieva, Anastassia, Dou, Jiayi, Baker, David, Amaro, Rommie E.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2019
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7532806/
https://ncbi.nlm.nih.gov/pubmed/31442033
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00483
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