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BMCBI
2010
117views more  BMCBI 2010»
13 years 5 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...
CP
2001
Springer
13 years 9 months ago
A CLP Approach to the Protein Side-Chain Placement Problem
Abstract. Selecting conformations for side-chains is an important subtask in building three-dimensional protein models. Side-chain placement is a difficult problem because of the l...
Martin T. Swain, Graham J. L. Kemp
BMCBI
2010
154views more  BMCBI 2010»
13 years 5 months ago
Binary image representation of a ligand binding site: its application to efficient sampling of a conformational ensemble
Background: Modelling the ligand binding site of a protein is an important component of understanding proteinligand interactions and is being actively studied. Even if the side ch...
Edon Sung, Sangsoo Kim, Whanchul Shin