Загрузка...
Assessment of conformational ensemble sizes necessary for specific resolutions of coverage of conformational space
The size of conformational ensembles required for regular coverage of the conformational space of drug-like molecules was examined. Using the conformer generation program Omega, the number of regularly-distributed conformers (NRC) of flexible compounds was determined as a function of the root mean s...
Сохранить в:
| Главные авторы: | , , , |
|---|---|
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2007
|
| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2040338/ https://ncbi.nlm.nih.gov/pubmed/17569521 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci7000956 |
| Метки: |
Добавить метку
Нет меток, Требуется 1-ая метка записи!
|