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10.3390/ijms21176188 http://scihub22266oqcxt.onion/10.3390/ijms21176188 32867123!7504604!32867123     free     free     free Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Int+J+Mol+Sci 2020 ; 21 (17): ä Nephropedia Template TP {{tp|p=32867123|t=2020. Using All-Atom Potentials to Refine RNA Structure Predictions of SARS-CoV-2 Stem Loops |pdf=|usr=}}{{32867123}} gab.com Text Using All-Atom Potentials to Refine RNA Structure Predictions of SARS-CoV-2 Stem Loops JO: Int J Mol Sci http://www.kidney.de/pget.php?&tw=1&pmid=32867123 #FOAvip A considerable amount of rapid-paced research is underway to combat the SARS-CoV-2 pandemic. In this work, we assess the 3D structure of the 5' untranslated region of its RNA, in the hopes that stable secondary structures can be targeted, interrupted, or otherwise measured. To this end, we have combined molecular dynamics simulations with previous Nuclear Magnetic Resonance measurements for stem loop 2 of SARS-CoV-1 to refine 3D structure predictions of that stem loop. We find that relatively short sampling times allow for loop rearrangement from predicted structures determined in absence of water or ions, to structures better aligned with experimental data. We then use molecular dynamics to predict the refined structure of the transcription regulatory leader sequence (TRS-L) region which includes stem loop 3, and show that arrangement of the loop around exchangeable monovalent potassium can interpret the conformational equilibrium determined by in-cell dimethyl sulfate (DMS) data. Twit Text FOAVip Using All-Atom Potentials to Refine RNA Structure Predictions of SARS-CoV-2 Stem Loops ????Int J Mol Sci http://www.kidney.de/pget.php?&tw=1&pmid=32867123 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32867123 #FOAvip English Wikipedia <ref>{{Cite pmid|32867123}}</ref> Using All-Atom Potentials to Refine RNA Structure Predictions of SARS-CoV-2 Stem Loops #MMPMID32867123 Bergonzo C; Szakal AL Int J Mol Sci 2020[Aug]; 21 (17): ä PMID32867123show ga A considerable amount of rapid-paced research is underway to combat the SARS-CoV-2 pandemic. In this work, we assess the 3D structure of the 5' untranslated region of its RNA, in the hopes that stable secondary structures can be targeted, interrupted, or otherwise measured. To this end, we have combined molecular dynamics simulations with previous Nuclear Magnetic Resonance measurements for stem loop 2 of SARS-CoV-1 to refine 3D structure predictions of that stem loop. We find that relatively short sampling times allow for loop rearrangement from predicted structures determined in absence of water or ions, to structures better aligned with experimental data. We then use molecular dynamics to predict the refined structure of the transcription regulatory leader sequence (TRS-L) region which includes stem loop 3, and show that arrangement of the loop around exchangeable monovalent potassium can interpret the conformational equilibrium determined by in-cell dimethyl sulfate (DMS) data. |5' Untranslated Regions/genetics[MESH] |Betacoronavirus/*genetics[MESH] |COVID-19[MESH] |Coronavirus Infections/*virology[MESH] |Humans[MESH] |Inverted Repeat Sequences/genetics[MESH] |Molecular Dynamics Simulation[MESH] |Nucleic Acid Conformation[MESH] |Pandemics[MESH] |Pneumonia, Viral/*virology[MESH] |RNA, Viral/genetics[MESH]Using All-Atom Potentials to Refine RNA Structure Predictions of SARS-(epmc).pdf DeepDyve Pubget Overpricing