Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/4912
Title: Conformational search of antisense nucleotides. Part. 2
Authors: Alcaro, S
Ortuso, F
Gallelli, A
Battaglia, D
Tafi, Andrea 
Botta, Maurizio 
Issue Date: 2004
Project: None 
Journal: IL FARMACO
Abstract: 
In this study is presented the phosphorotioate nucleotide compound (1) possessing an unusual moiety with a chiral P and a Se atoms double bonded. It required a force field parameterization for carrying out standard molecular mechanics calculations. A new set of MMFF parameters was developed and applied for the complete conformational search of the diastereoisomers, using both Monte Carlo and molecular dynamics, with the purpose to validate them by the comparison between calculated structural properties and NMR measurements.
Description: 
37631
URI: http://hdl.handle.net/20.500.12779/4912
ISSN: 0014-827X
DOI: 10.1016/j.farmac.2003.12.003
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