proposed there was the a-helix. Its formulation was the first and is still one of the greatest triumphs of speculative model building in molecular biology; it is the forerunner of the vast investment in computer-assisted molecular modeling in present-day research in structural chemistry. Nowadays, almost everyone is aware that the a-helix is right-handed (that is to say, if the thumb of the rig...

Z. Naturforsch. 53 a, 909-918 (1998); received August 24, 1998 Series of polyradical systems having a preponderance of common eigenvalues (strongly subspectral) are identified, and their structural relationships studied. A framework for the analysis and molecular modeling of graphite-related polymers is provided by an infinite two-dimensional mapping. Some analytical expressions are derived. Ar...

The V MDMM 2012 meeting was attended by 136 participants from 21 countries and was devoted to discussions and presentations of current computational methods along with their applications in molecular modeling, the design of molecular materials, and related fields. This conference continues a tradition of alternating Polish-Czech (+American) meetings that have taken place in the Czech Republic a...

It is shown how the new technique of double-quantum filtered refocused electron spin-echoes is a significant improvement over double-quantum coherence ESR, since it increases the experimental acquisition time. This enables the measurement of longer distances in bilabeled biomolecules. The method is demonstrated on a long double-stranded A-type RNA, spin labeled at both ends. The measured distan...

The preparation of galactofuranosyl-containing disaccharidic parts of natural glycoconjugates was performed according to a chemo-enzymatic synthesis. Our goals were firstly to develop an alternative approach to standard chemical strategies by limiting the number of reaction and purification steps, and secondly to evaluate the scope of the Araf51 biocatalyst to transfer a galactofuranosyl moiety...

The real-time texture mapping capabilities of modern graphics workstations are explored with respect to their applications in a variety of relevant scenarios in interactive molecular modeling techniques. The common usage of texture mapping to reduce geometric complexity while enhancing realism is extended, opening new ways to visualize large amounts of molecular data in a comprehensive fashion....