Lead Generation and Optimization Based on Protein-Ligand Complementarity

This work proposes a computational procedure for structure-based lead generation and optimization, which relies on the complementarity of the protein-ligand interactions. This procedure takes as input the known structure of a protein-ligand complex. Retaining the positions of the ligand heavy atoms...

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Detalles Bibliográficos
Autores principales: Ogata, Koji, Isomura, Tetsu, Kawata, Shinji, Yamashita, Hiroshi, Kubodera, Hideo, Wodak, Shoshana J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2010
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6264460/
https://www.ncbi.nlm.nih.gov/pubmed/20657448
http://dx.doi.org/10.3390/molecules15064382

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6264460/
https://www.ncbi.nlm.nih.gov/pubmed/20657448
http://dx.doi.org/10.3390/molecules15064382

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