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» Hidden conformations in protein structures
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JIB
2006
106views more  JIB 2006»
13 years 7 months ago
A structural keystone for drug design
3D-structures of proteins and potential ligands are the cornerstones of rational drug design. The first brick to build upon is selecting a protein target and finding out whether b...
Kristian Rother, Mathias Dunkel, Elke Michalsky, S...
BMCBI
2006
159views more  BMCBI 2006»
13 years 7 months ago
Prediction of protein continuum secondary structure with probabilistic models based on NMR solved structures
Background: The structure of proteins may change as a result of the inherent flexibility of some protein regions. We develop and explore probabilistic machine learning methods for...
Mikael Bodén, Zheng Yuan, Timothy L. Bailey
COMPGEOM
2005
ACM
13 years 9 months ago
Dynamic maintenance of molecular surfaces under conformational changes
We present an efficient algorithm for maintaining the boundary and surface area of protein molecules as they undergo conformational changes. We also describe a robust implementati...
Eran Eyal, Dan Halperin
BMCBI
2010
117views more  BMCBI 2010»
13 years 7 months ago
Beyond rotamers: a generative, probabilistic model of side chains in proteins
Background: Accurately covering the conformational space of amino acid side chains is essential for important applications such as protein design, docking and high resolution stru...
Tim Harder, Wouter Boomsma, Martin Paluszewski, Je...