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An improved relaxed complex scheme for receptor flexibility in computer-aided drug design

The interactions among associating (macro)molecules are dynamic, which adds to the complexity of molecular recognition. While ligand flexibility is well accounted for in computational drug design, the effective inclusion of receptor flexibility remains an important challenge. The relaxed complex sch...

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Библиографические подробности
Главные авторы: Amaro, Rommie E., Baron, Riccardo, McCammon, J. Andrew
Формат: Artigo
Язык:Inglês
Опубликовано: Springer Netherlands 2008
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Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC2516539/
https://ncbi.nlm.nih.gov/pubmed/18196463
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-007-9159-2
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