Abstract：
:A new methodology to describe the interactions in "receptor-ligand" complexes is presented. The methodology is based on a combination of the 3D/4D QSAR BiS/MC and CoCon algorithms. The first algorithm performs the restricted docking of compounds to receptor pockets. The second determines the relationships between the bioactivity and the parameters of interactions in the "receptor-ligand" complexes, including a new formalism for estimating hydrogen bond energies.
journal_name
J Chem Inf Modeljournal_title
Journal of chemical information and modelingauthors
Potemkin VA,Pogrebnoy AA,Grishina MAdoi
10.1021/ci800405nsubject
Has Abstractpub_date
2009-06-01 00:00:00pages
1389-406issue
6eissn
1549-9596issn
1549-960Xjournal_volume
49pub_type
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journal_title：Journal of chemical information and modeling
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更新日期：2016-01-25 00:00:00
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journal_title：Journal of chemical information and modeling
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journal_title：Journal of chemical information and modeling
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更新日期：2007-05-01 00:00:00
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journal_title：Journal of chemical information and modeling
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journal_title：Journal of chemical information and modeling
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journal_title：Journal of chemical information and modeling
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journal_title：Journal of chemical information and modeling
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更新日期：2017-10-23 00:00:00
