An explicit-solvent conformation search method using open software
Computer modeling is a popular tool to identify the most-probable conformers of a molecule. Although the solvent can have a large effect on the stability of a conformation, many popular conformational search methods are only capable of describing molecules in the gas phase or with an implicit solven...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
PeerJ Inc.
2016-05-01
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| Series: | PeerJ |
| Subjects: | |
| Online Access: | https://peerj.com/articles/2088.pdf |