Abstract Background Guanine quadruplexes (GQs) play vital roles in many cellular
processes and are of much interest as drug targets. In contrast to the availability of many …

Guanine quadruplexes (G4s) are non-canonical nucleic acids structures common in
important genomic regions. Parallel-stranded G4 folds are the most abundant, but their …

Abstract G-quadruplexes (G4s) are DNA secondary structures that are capable of forming
and function in vivo. The propensity of G4s to exhibit extreme polymorphism and complex …

G-quadruplexes are the most important noncanonical DNA architectures. Many quadruplex-
forming sequences, including the human telomeric sequence d (GGGTTA) n, have been …

DNA G-hairpins are potential key structures participating in folding of human telomeric
guanine quadruplexes (GQ). We examined their properties by standard MD simulations …

The folding kinetics is an important parameter affecting the relevance of DNA and RNA G-
quadruplex (G4) structures in biological processes. Previous studies of the G4 folding …

The self-assembly and stability of DNA G-quadruplexes (GQs) are affected by the intrinsic
stability of different GpG base steps embedded in their G-quartet stems. We have carried out …

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 …

Abstract G-quadruplexes (GQs) are 4-stranded DNA structures formed by tracts of stacked,
Hoogsteen-hydrogen bonded guanosines. GQs are found in gene promoters and telomeres …

Explicit solvent molecular dynamics simulations have been used to complement preceding
experimental and computational studies of folding of guanine quadruplexes (G-DNA). We …