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Current and emerging opportunities for molecular simulations in structure-based drug design
An overview of the current capabilities and limitations of molecular simulation of biomolecular complexes in the context of computer-aided drug design is provided. Steady improvements in computer hardware coupled with more refined representations of energetics are leading to a new appreciation of th...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Royal Society of Chemistry
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4256725/ https://www.ncbi.nlm.nih.gov/pubmed/24469595 http://dx.doi.org/10.1039/c3cp54164a |