We review molecular dynamics simulations of nucleic acids, including those completed from
1995 to 2000, with a focus on the applications and results rather than the methods. After the …

The formation of intermolecular DNA triple helices offers the possibility of designing
compounds with extensive sequence recognition properties which may be useful as …

We have examined some subtle parameter modifications to the Cornell et al. force field,
which has proven quite successful in reproducing nucleic acid properties, but whose C2 …

The dynamics, hydration, and ion-binding features of two duplexes, the A (r (CG) 12) and the
B (d (CG) 12), in a neutralizing aqueous environment with 0.25 M added KCl have been …

Molecular dynamics (MD) simulations are presented of four-stranded G-DNA molecules
formed by the sequences d (G4) and d (G4T4G4). Starting coordinates are based on high …

The growing amount of high quality molecular dynamics simulations generated using the
latest methodological developments and force fields has led to a sharper understanding of …

A force field for the computer simulation of aqueous solutions of amides is presented. The
force field is designed to reproduce the experimentally observed density and Kirkwood–Buff …

In the last years DNA triplexes have been the subject of a very intense research effort, which
has been summarized in a vast number of books and reviews (see for example refs.[1-16]) …

The present computational power and sophistication of theoretical approaches to nucleic
acid structural investigation are sufficient for the realization of static and dynamic models that …

Abstract Neutral (G. GC, A. AT, G. AT, T. AT, and C (imino). GC) and protonated (CH+. GC
and AH+. GC) hydrogen-bonded trimers of nucleic acid bases were characterized by ab …