Application of the alchemical transfer and potential of mean force methods to the SAMPL8 host-guest blinded challenge.
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| Title: | Application of the alchemical transfer and potential of mean force methods to the SAMPL8 host-guest blinded challenge. |
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| Authors: | Azimi, Solmaz1,2, Wu, Joe Z.1,3, Khuttan, Sheenam1,2, Kurtzman, Tom2,3,4, Deng, Nanjie5, Gallicchio, Emilio1,2,3, egallicchio@brooklyn.cuny.edu |
| Source: | Journal of Computer-Aided Molecular Design; Jan2022, Vol. 36 Issue 1, p63-76, 14p |
| Database: | Applied Science & Technology Source |
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| ISSN: | 0920654X |
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| DOI: | 10.1007/s10822-021-00437-y |
