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10.3390/ijms21228420 http://scihub22266oqcxt.onion/10.3390/ijms21228420 33182550!7698023!33182550     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       Int+J+Mol+Sci 2020 ; 21 (22): ä Nephropedia Template TP {{tp|p=33182550|t=2020. Methods and Applications of In Silico Aptamer Design and Modeling |pdf=|usr=}}{{33182550}} gab.com Text Methods and Applications of In Silico Aptamer Design and Modeling JO: Int J Mol Sci http://www.kidney.de/pget.php?&tw=1&pmid=33182550 #FOAvip Aptamers are nucleic acid analogues of antibodies with high affinity to different targets, such as cells, viruses, proteins, inorganic materials, and coenzymes. Empirical approaches allow the design of in vitro aptamers that bind particularly to a target molecule with high affinity and selectivity. Theoretical methods allow significant expansion of the possibilities of aptamer design. In this study, we review theoretical and joint theoretical-experimental studies dedicated to aptamer design and modeling. We consider aptamers with different targets, such as proteins, antibiotics, organophosphates, nucleobases, amino acids, and drugs. During nucleic acid modeling and in silico design, a full set of in silico methods can be applied, such as docking, molecular dynamics (MD), and statistical analysis. The typical modeling workflow starts with structure prediction. Then, docking of target and aptamer is performed. Next, MD simulations are performed, which allows for an evaluation of the stability of aptamer/ligand complexes and determination of the binding energies with higher accuracy. Then, aptamer/ligand interactions are analyzed, and mutations of studied aptamers made. Subsequently, the whole procedure of molecular modeling can be reiterated. Thus, the interactions between aptamers and their ligands are complex and difficult to understand using only experimental approaches. Docking and MD are irreplaceable when aptamers are studied in silico. Twit Text FOAVip Methods and Applications of In Silico Aptamer Design and Modeling ????Int J Mol Sci http://www.kidney.de/pget.php?&tw=1&pmid=33182550 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33182550 #FOAvip English Wikipedia <ref>{{Cite pmid|33182550}}</ref> Methods and Applications of In Silico Aptamer Design and Modeling #MMPMID33182550 Buglak AA; Samokhvalov AV; Zherdev AV; Dzantiev BB Int J Mol Sci 2020[Nov]; 21 (22): ä PMID33182550show ga Aptamers are nucleic acid analogues of antibodies with high affinity to different targets, such as cells, viruses, proteins, inorganic materials, and coenzymes. Empirical approaches allow the design of in vitro aptamers that bind particularly to a target molecule with high affinity and selectivity. Theoretical methods allow significant expansion of the possibilities of aptamer design. In this study, we review theoretical and joint theoretical-experimental studies dedicated to aptamer design and modeling. We consider aptamers with different targets, such as proteins, antibiotics, organophosphates, nucleobases, amino acids, and drugs. During nucleic acid modeling and in silico design, a full set of in silico methods can be applied, such as docking, molecular dynamics (MD), and statistical analysis. The typical modeling workflow starts with structure prediction. Then, docking of target and aptamer is performed. Next, MD simulations are performed, which allows for an evaluation of the stability of aptamer/ligand complexes and determination of the binding energies with higher accuracy. Then, aptamer/ligand interactions are analyzed, and mutations of studied aptamers made. Subsequently, the whole procedure of molecular modeling can be reiterated. Thus, the interactions between aptamers and their ligands are complex and difficult to understand using only experimental approaches. Docking and MD are irreplaceable when aptamers are studied in silico. |*Aptamers, Nucleotide/chemistry/genetics[MESH] |Anti-Bacterial Agents/chemistry[MESH] |Computer Simulation[MESH] |Directed Molecular Evolution[MESH] |Drug Design[MESH] |Humans[MESH] |Ligands[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Organophosphates/antagonists & inhibitors/chemistry[MESH] |Proteins/antagonists & inhibitors/chemistry[MESH]Methods and Applications of In Silico Aptamer Design and Modeling (epmc).pdf DeepDyve Pubget Overpricing