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Implementation and evaluation of a docking‐rescoring method using molecular footprint comparisons |
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| Authors: | Trent E. Balius Sudipto Mukherjee Robert C. Rizzo |
| Affiliation: | 1. Department of Applied Mathematics and Statistics, Stony Brook University, Stony Brook, New York 11794;2. Institute of Chemical Biology and Drug Discovery, Stony Brook University, Stony Brook, New York 11794 |
| Abstract: | |
| Keywords: | molecular footprints molecular fingerprints pose comparison pose rescoring docking virtual screening enrichment ROC curves Euclidean distance Pearson correlation |