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Data-Driven High-Throughput Prediction of the 3D Structure of Small Molecules: Review and Progress

Accurate prediction of the 3D structure of small molecules is essential in order to understand their physical, chemical, and biological properties including how they interact with other molecules. Here we survey the field of high-throughput methods for 3D structure prediction and set up new target s...

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Detalhes bibliográficos
Main Authors: Andronico, Alessio, Randall, Arlo, Benz, Ryan W., Baldi, Pierre
Formato: Artigo
Idioma:Inglês
Publicado em: 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3081951/
https://ncbi.nlm.nih.gov/pubmed/21417267
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci100223t
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