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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...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile nagusia: Gallicchio, Emilio
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2012
Gaiak:
Sarrera elektronikoa: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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