This project is to perform three-dimensional stereoscopic modeling, in Maestro, of theoretical non-replicative RNA oligonucleotide reproduction complexes. These complexes are selected on the basis of their theoretical structural capacity to facilitate or catalyze random oligonucleotide polymerization and non-random template reproduction, and on the basis of Macromodel-calculated minimal energy states of their potential conformations based on phosphate-backbone bond rotation and cationic Wachtershauser-plane attraction. The researchers are using MSI’s BSCL for this project. Data obtained from these 3D computer simulations will guide the chemical synthesis and annealing of real-world oligonucleotide complexes for test-tube confirmation of their predicted catalytic capacity and crystallographic and/or atomic force microscopy (AFM) confirmation of their predicted 3D structures.
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