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Role of Ligand Reorganization and Conformational Restraints on the Binding Free Energies of DAPY Non-Nucleoside Inhibitors to HIV Reverse Transcriptase

The results of computer simulations of the binding of etravirine (TMC125) and rilpivirine (TMC278) to HIV reverse transcriptase are reported. It is confirmed that consistent binding free energy estimates are obtained with or without the application of torsional restraints when the free energies of i...

詳細記述

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書誌詳細
第一著者: Gallicchio, Emilio
フォーマット: Artigo
言語:Inglês
出版事項: 2012
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC3374582/
https://ncbi.nlm.nih.gov/pubmed/22708073
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.4236/cmb.2012.21002
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