|
ИСТИНА |
Войти в систему Регистрация |
ФНКЦ РР |
||
Preparation of combinatorial libraries by using scaffold’s protein ligand interaction fingerprints (PLIF)статья
- Автор: Lapa GB
- Сборник: Proceedings book of the XXIX Symposium “Bioinformatics and Computer-Aided Drug Discovery
- Год издания: 2023
- Место издания: Institute Of Biomedicinal Chemistry Moscow, Russian Federation
- Первая страница: 118
- DOI: 10.18097/BCADD2023
- Аннотация: Protein-ligand interactions fingerprints (PLIF) allow to constraint docking scoring functions for morerational evaluation and cross validation of docking results, etc [1]. Compounds of combinatorial library (CL) contain some “main scaffold”, “decorative elements” like side radicals, additional cycles, pseudo-cycle, etc. Obviously both parts are critically important to provide sufficient input in protein-ligand interactions. We believe that the PLIF approach has a limitation in some situations since operate with information about whole molecule.
- Добавил в систему: Лапа Геннадий Борисович
Прикрепленные файлы
| № | Имя | Описание | Имя файла | Размер | Добавлен |
|---|---|---|---|---|---|
| 1. | Полный текст | BCADD-2023-Proceedings_Lapa_GB_119.pdf | 691,5 КБ | 5 мая 2024 [LapaGB] |