Development and Improvement of Tools and Algorithms for the Problem of Atom Type Perception and for the Assessment of Protein-Ligand-Complex Geometries
In context of the present work, a scoring function for protein-ligand complexes has been developed, not aimed at affinity prediction, but rather a good recognition rate of near native geometries. The developed program DSX makes use of the same formalism as the knowledge-based scoring function DrugSc...
Сохранить в:
Главный автор: | |
---|---|
Другие авторы: | |
Формат: | Dissertation |
Язык: | английский |
Опубликовано: |
Philipps-Universität Marburg
2012
|
Предметы: | |
Online-ссылка: | PDF-полный текст |
Метки: |
Добавить метку
Нет меток, Требуется 1-ая метка записи!
|
Ваш комментарий будет первым!