Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock
<p>Abstract</p> <p>Background</p> <p>Molecular docking methods are commonly used for predicting binding modes and energies of ligands to proteins. For accurate complex geometry and binding energy estimation, an appropriate method for calculating partial charges is essen...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2009-09-01
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| Series: | Journal of Cheminformatics |
| Online Access: | http://www.jcheminf.com/content/1/1/15 |