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» Multipolar representation of protein structure
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RECOMB
2009
Springer
14 years 8 months ago
An Online Approach for Mining Collective Behaviors from Molecular Dynamics Simulations
Collective behavior involving distally separate regions in a protein is known to widely affect its function. In this paper, we present an online approach to study and characterize ...
Arvind Ramanathan, Pratul K. Agarwal, Maria Kurnik...
NAR
2000
128views more  NAR 2000»
13 years 7 months ago
The IMB Jena Image Library of Biological Macromolecules
The IMB Jena Image Library of Biological Macromolecules (http://www.imb-jena.de/IMAGE.html ) is aimed at a better dissemination of information on three-dimensional biopolymer stru...
Jan Reichert, Andreas Jabs, Peter Slickers, Jü...
BMCBI
2007
116views more  BMCBI 2007»
13 years 7 months ago
Clustering protein environments for function prediction: finding PROSITE motifs in 3D
Background: Structural genomics initiatives are producing increasing numbers of threedimensional (3D) structures for which there is little functional information. Structure-based ...
Sungroh Yoon, Jessica C. Ebert, Eui-Young Chung, G...
BMCBI
2010
121views more  BMCBI 2010»
13 years 8 months ago
Knowledge-based annotation of small molecule binding sites in proteins
Background: The study of protein-small molecule interactions is vital for understanding protein function and for practical applications in drug discovery. To benefit from the rapi...
Ratna R. Thangudu, Manoj Tyagi, Benjamin A. Shoema...
BMCBI
2010
132views more  BMCBI 2010»
13 years 8 months ago
New statistical potential for quality assessment of protein models and a survey of energy functions
Background: Scoring functions, such as molecular mechanic forcefields and statistical potentials are fundamentally important tools in protein structure modeling and quality assess...
Dmitry Rykunov, András Fiser