By means of molecular modelling, electrostatic interactions are shown to play an important
role in the sequence-dependent structure of triple helices formed by a homopyrimidine …

A novel and powerful methodology is developed which allows the alteration of molecular
structures subjected to constraints and its application to polynucleotides with …

Calmodulin (CaM) is a remarkably flexible protein which can bind multiple targets in
response to changes in intracellular calcium concentration. It contains four calcium-binding …

Small-and wide-angle x-ray scattering is used for structural characterization of amylose
solutions and gets. Recently published coordinates determined by x-ray fiber structure …

The point-chart approximation of the Miertus-Scrocco-Tomasi solvation model (MST-PC)
based on a continuum representation of the solvent has been incorporated in force field …

2D NMR spectroscopic methods have been used to determine the structure of the adduct
formed between the antitumor antibiotic hedamycin and the oligodeoxyribonucleotide …

The structures of poly (dA-dT), poly (dA-dBr 5 U) and of poly (dA)· poly (dT) have been
investigated in solution and in fibers, by Raman spectroscopy. Both the alternating poly (dA …

The program AMBER 3.0 has been used to generate molecular dynamics trajectories of a
poly (dA)· poly (dT) decamer. The simulations were performed using different methods to …

We investigated the dependence on solvents of optical absorption and emission of the
bacteriochlorophyll a‐serine (BChl‐ser), a water soluble bacteriochlorophyll (BChl) …

A combination of conformational search, energy minimization, and energetic evaluation
using a continuum solvent treatment has been employed to study the stability of various …