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» VRML Molecular Dynamics Trajectories
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BMCBI
2008
146views more  BMCBI 2008»
13 years 5 months ago
Can molecular dynamics simulations help in discriminating correct from erroneous protein 3D models?
Background: Recent approaches for predicting the three-dimensional (3D) structure of proteins such as de novo or fold recognition methods mostly rely on simplified energy potentia...
Jean-François Taly, Antoine Marin, Jean-Fra...
CSB
2005
IEEE
129views Bioinformatics» more  CSB 2005»
13 years 11 months ago
Deformable Modeling for Improved Calculation of Molecular Velocities from Single-Particle Tracking
Single-particle tracking provides a powerful technique for measuring dynamic cellular processes on the level of individual molecules. Much recent work has been devoted to using si...
Peter M. Kasson, Mark M. Davis, Axel T. Brüng...
ALMOB
2007
170views more  ALMOB 2007»
13 years 5 months ago
A spatio-temporal mining approach towards summarizing and analyzing protein folding trajectories
Understanding the protein folding mechanism remains a grand challenge in structural biology. In the past several years, computational theories in molecular dynamics have been empl...
Hui Yang, Srinivasan Parthasarathy, Duygu Ucar
BMCBI
2006
155views more  BMCBI 2006»
13 years 5 months ago
CAVER: a new tool to explore routes from protein clefts, pockets and cavities
Background: The main aim of this study was to develop and implement an algorithm for the rapid, accurate and automated identification of paths leading from buried protein clefts, ...
Martin Petrek, Michal Otyepka, Pavel Banás,...
BICOB
2010
Springer
13 years 10 months 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