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Rapid and accurate structure-based therapeutic peptide design using GPU accelerated thermodynamic integration

Peptide-based therapeutics are an alternative to small molecule drugs as they offer superior specificity, lower toxicity, and easy synthesis. Here we present an approach that leverages the dramatic performance increase afforded by the recent arrival of GPU accelerated thermodynamic integration (TI)....

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書目詳細資料
發表在:Proteins
Main Authors: Garton, Michael, Corbi-Verge, Carles, Hu, Yuan, Nim, Satra, Tarasova, Nadya, Sherborne, Brad, Kim, Philip M.
格式: Artigo
語言:Inglês
出版: 2019
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC8091910/
https://ncbi.nlm.nih.gov/pubmed/30520126
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.25644
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