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» Visualizing Dynamic Molecular Conformations
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BMCBI
2010
141views more  BMCBI 2010»
13 years 7 months ago
Computing and visually analyzing mutual information in molecular co-evolution
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...
JCPHY
2011
192views more  JCPHY 2011»
12 years 10 months ago
Fast analysis of molecular dynamics trajectories with graphics processing units - Radial distribution function histogramming
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 ...
Benjamin G. Levine, John E. Stone, Axel Kohlmeyer
BMCBI
2011
13 years 2 months ago
Implementation of Force Distribution Analysis for Molecular Dynamics simulations
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...
APBC
2004
141views Bioinformatics» more  APBC 2004»
13 years 9 months ago
Molecular Imaging and Biomedical Process Modeling
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...
David Dagan Feng
BICOB
2010
Springer
14 years 9 days ago
Folding-aware and Structure-conscious 3D Substructures in Folding Data: Identification and Applications
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