Background: Selective pressure in molecular evolution leads to uneven distributions of amino acids and nucleotides. In fact one observes correlations among such constituents due t...
Sebastian Bremm, Tobias Schreck, Patrick Boba, Ste...
The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in ...
Background: The way mechanical stress is distributed inside and propagated by proteins and other biopolymers largely defines their function. Yet, determining the network of intera...
Wolfram Stacklies, Christian Seifert, Frauke Graet...
This paper describes the core theories and enabling technologies developed for molecular imaging at the BMIT Group and the CMSP Center over the last 10 years, in the areas of dyna...
Molecular dynamics simulations have been employed by biologists to study the protein folding problem. Such simulations have resulted in a large number of protein folding trajector...
Hui Yang, Saurabh Gupte, Runtang Wang, Rahul Parte