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Effect of mutations on binding of ligands to guanine riboswitch probed by free energy perturbation and molecular dynamics simulations

Riboswitches can regulate gene expression by direct and specific interactions with ligands and have recently attracted interest as potential drug targets for antibacterial. In this work, molecular dynamics (MD) simulations, free energy perturbation (FEP) and molecular mechanics generalized Born surf...

पूर्ण विवरण

में बचाया:
ग्रंथसूची विवरण
में प्रकाशित:Nucleic Acids Res
मुख्य लेखकों: Chen, Jianzhong, Wang, Xingyu, Pang, Laixue, Zhang, John Z H, Zhu, Tong
स्वरूप: Artigo
भाषा:Inglês
प्रकाशित: Oxford University Press 2019
विषय:
ऑनलाइन पहुंच:https://ncbi.nlm.nih.gov/pmc/articles/PMC6649850/
https://ncbi.nlm.nih.gov/pubmed/31173143
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/nar/gkz499
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