Automated design of ligands to polypharmacological profiles

The clinical efficacy and safety of a drug is determined by its activity profile across multiple proteins in the proteome. However, designing drugs with a specific multi-target profile is both complex and difficult. Therefore methods to rationally design drugs a priori against profiles of multiple p...

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Autori principali: Besnard, Jérémy, Ruda, Gian Filippo, Setola, Vincent, Abecassis, Keren, Rodriguiz, Ramona M., Huang, Xi-Ping, Norval, Suzanne, Sassano, Maria F., Shin, Antony I., Webster, Lauren A., Simeons, Frederick R.C., Stojanovski, Laste, Prat, Annik, Seidah, Nabil G., Constam, Daniel B., Bickerton, G. Richard, Read, Kevin D., Wetsel, William C., Gilbert, Ian H., Roth, Bryan L., Hopkins, Andrew L.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2012
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Article
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3653568/
https://ncbi.nlm.nih.gov/pubmed/23235874
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/nature11691
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