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International Letters of Chemistry, Physics and Astronomy
2015 Vol. 49 74--80
EN The infrared spectra of 2-Thiouracil (Thu) have been recorded in the region 4000-400 cm-1. The assignments of fundamental frequencies have been proposed on the basis of assignments in related molecules. Correlation of vibrational assignments with those of related molecules have been point[...]
Computational Methods in Science and Technology
EN A new set of force field parameters complementing the CHARMM27 all atom empirical force field for nucleic acids was developed for 2-thiouracil and 4-thiouracil, two naturally modified RNA bases. The new parameters allow for molecular modeling and molecular dynamics simulations of RNA containing 2-th[...]
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