Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.7b00226
Abstract: We have carried out a series of extended unbiased molecular dynamics (MD) simulations (up to 10 μs long, ∼162 μs in total) complemented by replica-exchange with the collective variable tempering (RECT) approach for several human… read more here.
Keywords: propeller loops; human telomeric; force field; telomeric dna ... See more keywords
Structural dynamics of propeller loop: towards folding of RNA G-quadruplex
Sign Up to like & getrecommendations! Published in 2018 at "Nucleic Acids Research"
DOI: 10.1093/nar/gky712
Abstract: Abstract We have carried out an extended set of standard and enhanced-sampling MD simulations (for a cumulative simulation time of 620 μs) with the aim to study folding landscapes of the rGGGUUAGGG and rGGGAGGG parallel… read more here.
Keywords: rna; structural dynamics; propeller loop; loop towards ... See more keywords