Enhancing water sampling of buried binding sites using nonequilibrium candidate Monte Carlo.
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| Title: | Enhancing water sampling of buried binding sites using nonequilibrium candidate Monte Carlo. |
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| Authors: | Bergazin, Teresa Danielle1, Ben-Shalom, Ido Y.2, Lim, Nathan M.1, Gill, Sam C.3, Gilson, Michael K.2, Mobley, David L.1,3, dmobley@mobleylab.org |
| Source: | Journal of Computer-Aided Molecular Design; Feb2021, Vol. 35 Issue 2, p167-177, 11p |
| Database: | Applied Science & Technology Source |
| ISSN: | 0920654X |
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| DOI: | 10.1007/s10822-020-00344-8 |
