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Proteins: Structure, Function, and Bioinformatics, ISSN 0887-3585, 03/2017, Volume 85, Issue 3, pp. 424 - 434
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 05/2014, Volume 35, Issue 12, pp. 932 - 943
Knowledge‐based scoring functions are widely used for assessing putative complexes in protein–ligand and protein–protein docking and for structure prediction.... 
knowledge‐based scoring function | ligand interactions | sparse data | molecular docking | protein | knowledge-based scoring function | Models, Molecular | Ligands | Proteins - chemistry | Bayes Theorem
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 06/2016, Volume 56, Issue 6, p. 1013
  In this study, we developed two iterative knowledge-based scoring functions, ITScore_pdbbind(rigid) and ITScore_pdbbind(flex), using rigid decoy structures... 
Proteins | Benchmarks | Ligands | Binding sites
Journal Article
Biophysical Journal, ISSN 0006-3495, 01/2012, Volume 102, Issue 3, pp. 409a - 409a
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 10/2010, Volume 12, Issue 4, pp. 12899 - 1298
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 08/2013, Volume 53, Issue 8, p. 1905
  In this study, we use the recently released 2012 Community Structure-Activity Resource (CSAR) data set to evaluate two knowledge-based scoring functions,... 
Proteins | Molecules | Molecular structure | Chemical compounds | Binding sites
Journal Article
Journal Article
Proteins, ISSN 0887-3585, 12/2013, Volume 81, Issue 12, pp. 2183 - 2191
Inclusion of entropy is important and challenging for protein-protein binding prediction. Here, we present a statistical mechanics-based approach to... 
CAPRI experiments | protein-protein interaction | entropy | molecular docking | scoring function
Journal Article
Journal of Molecular Graphics and Modelling, ISSN 1093-3263, 2011, Volume 29, Issue 6, pp. 795 - 799
Journal Article
01/2014, ISBN 9781369126686
Protein-ligand docking methods streamline the process of drug design by helping identify new chemical entities that bind to proteins. These methods provide a... 
Biophysics | Bioinformatics
Dissertation
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