The fundamental criteria of the quality of molecular dynamics (MD) simulation represent a
pivotal challenge, especially in the case of MD simulations of large systems (in particular …

A detailed analysis of polypeptide-chain backbone conformations was carried out for
polypeptide-chain segments adjacent to β-turn regions, including the sites of disallowed …

Abstract β-Bends are typical local structures of the polypeptide chain, are widespread in
proteins, and play an important structural and functional role. It is possible to expect a priori …

To assess the nature of the relationship between the integral conformational stability of
tetrapeptides and the main types of β-turns (which are also tetrapeptides), spectrum …

An analog of the Ramachandran map was drawn, a new representation proposed, and
thorough analysis performed using modern recognition and classification methods. Very …

The interactions between protein and DNA in essence underlie all processes in a living cell.
Understanding the principles of specific recognition of DNA sites will open the way to …

A β-hairpin included β-bend can be treated as an example of composite local structure
which components (β-bend and fragment of β-structure) play different structural, energetic …

A beta-hairpin that includes a beta-bend can be viewed as an example of a composite local
structure whose components play a different structural, energetic, and geometric role. In …

Аннотация Взаимодействия между белком и ДНК по существу лежат в основе всех
процессов, происходящих в живой клетке. Познание принципов специфического …