Employing conformational analysis in the molecular modeling of agrochemicals: insights on QSAR parameters of 2,4-D
A common practice to compute ligand conformations of compounds with various degrees of freedom to be used in molecular modeling (QSAR and docking studies) is to perform a conformational distribution based on repeated random sampling, such as Monte-Carlo methods. Further calculations are often requir...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Universidade Federal de Lavras
2013-12-01
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| Series: | Ciência e Agrotecnologia |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1413-70542013000600001&lng=en&tlng=en |