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Quantum Chemical Approaches in Structure-Based Virtual Screening and Lead Optimization
Today computational chemistry is a consolidated tool in drug lead discovery endeavors. Due to methodological developments and to the enormous advance in computer hardware, methods based on quantum mechanics (QM) have gained great attention in the last 10 years, and calculations on biomacromolecules...
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| Publicado no: | Front Chem |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Frontiers Media S.A.
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5986912/ https://ncbi.nlm.nih.gov/pubmed/29896472 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2018.00188 |
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