Molecular dynamics simulations and drug discovery
This review discusses the many roles atomistic computer simulations of macromolecular (for example, protein) receptors and their associated small-molecule ligands can play in drug discovery, including the identification of cryptic or allosteric binding sites, the enhancement of traditional virtual-s...
| Main Authors: | , |
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| Format: | Online |
| Language: | English |
| Published: |
BioMed Central
2011
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3203851/ |