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An Overview of Molecular Modeling for Drug Discovery with Specific Illustrative Examples of Applications
In this paper we review the current status of high-performance computing applications in the general area of drug discovery. We provide an introduction to the methodologies applied at atomic and molecular scales, followed by three specific examples of implementation of these tools. The first example...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6539951/ https://www.ncbi.nlm.nih.gov/pubmed/31052253 http://dx.doi.org/10.3390/molecules24091693 |