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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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Andronico, Alessio, Randall, Arlo, Benz, Ryan W., Baldi, Pierre
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2011
Pynciau:
Mynediad Ar-lein: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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