Geometric filters for protein–ligand complexes based on phenomenological molecular models
Molecular docking is a widely used method of computer-aided drug design capable of accurate prediction of protein-ligand complex conformations. However, scoring functions used to estimate free energy of binding still lack accuracy. Aim. Development of computationally simple and rapid algorithms for...
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| Date: | 2013 |
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| Main Authors: | , , , |
| Format: | Article |
| Language: | English |
| Published: |
Інститут молекулярної біології і генетики НАН України
2013
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| Series: | Вiopolymers and Cell |
| Subjects: | |
| Online Access: | https://nasplib.isofts.kiev.ua/handle/123456789/153215 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | Geometric filters for protein–ligand complexes based on phenomenological molecular models / O.O. Sudakov, O.M. Balinskyi, M.O. Platonov, D.B. Kovalskyy // Вiopolymers and Cell. — 2013. — Т. 29, №. 5. — С. 418-423. — Бібліогр.: 9 назв. — англ. |