Binding free energy predictions in host-guest systems using Autodock4. A retrospective analysis on SAMPL6, SAMPL7 and SAMPL8 challenges.
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| Title: | Binding free energy predictions in host-guest systems using Autodock4. A retrospective analysis on SAMPL6, SAMPL7 and SAMPL8 challenges. |
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| Authors: | Casbarra, Lorenzo1, Procacci, Piero1, procacci@unifi.it |
| Source: | Journal of Computer-Aided Molecular Design; Jun2021, Vol. 35 Issue 6, p721-729, 9p |
| Database: | Applied Science & Technology Source |
| ISSN: | 0920654X |
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| DOI: | 10.1007/s10822-021-00388-4 |