Загрузка...
Development and validation of an improved algorithm for overlaying flexible molecules
A program for overlaying multiple flexible molecules has been developed. Candidate overlays are generated by a novel fingerprint algorithm, scored on three objective functions (union volume, hydrogen-bond match, and hydrophobic match), and ranked by constrained Pareto ranking. A diverse subset of th...
Сохранить в:
| Главные авторы: | , , , , , |
|---|---|
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Springer Netherlands
2012
|
| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3348445/ https://ncbi.nlm.nih.gov/pubmed/22538643 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-012-9573-y |
| Метки: |
Добавить метку
Нет меток, Требуется 1-ая метка записи!
|