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pro vyhledávání: '"A. Y. Lizunov"'
Accounting for Intraligand Interactions in Flexible Ligand Docking with a PMF-Based Scoring Function
Publikováno v:
Journal of Chemical Information and Modeling. 55:2121-2137
We analyzed the frequency with which intraligand contacts occurred in a set of 1300 protein-ligand complexes [ Plewczynski et al. J. Comput. Chem. 2011 , 32 , 742 - 755 .]. Our analysis showed that flexible ligands often form intraligand hydrophobic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::352a4add1ea2076b1416e003270c82d0
https://doi.org/10.1021/acs.jcim.5b00158
https://doi.org/10.1021/acs.jcim.5b00158
Accounting for Intraligand Interactions in FlexibleLigand Docking with a PMF-Based Scoring Function.
Publikováno v:
Journal of Chemical Information & Modeling; Oct2015, Vol. 55 Issue 10, p2121-2137, 17p