Recent Progress in Treating Protein–Ligand Interactions with Quantum-Mechanical Methods
We review the first successes and failures of a “new wave” of quantum chemistry-based approaches to the treatment of protein/ligand interactions. These approaches share the use of “enhanced”, dispersion (D), and/or hydrogen-bond (H) corrected density functional theory (DFT) or semi-empirical quantum...
| Main Authors: | , |
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| Format: | Online |
| Language: | English |
| Published: |
MDPI
2016
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4881564/ |