A Comparative Study on the Application of Hierarchical−Agglomerative Clustering Approaches to Organize Outputs of Reiterated Docking Runs
- 9 February 2006
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Modeling
- Vol. 46 (2) , 852-862
- https://doi.org/10.1021/ci050141q
Abstract
No abstract availableKeywords
This publication has 26 references indexed in Scilit:
- Virtual screening of chemical librariesNature, 2004
- Docking and scoring in virtual screening for drug discovery: methods and applicationsNature Reviews Drug Discovery, 2004
- An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein−Ligand ComplexesJournal of Chemical Information and Computer Sciences, 2004
- Comparative evaluation of eight docking tools for docking and virtual screening accuracyProteins-Structure Function and Bioinformatics, 2004
- A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevanceProteins-Structure Function and Bioinformatics, 2004
- The Many Roles of Computation in Drug DiscoveryScience, 2004
- Free Energy Simulations Come of Age: Protein−Ligand RecognitionAccounts of Chemical Research, 2002
- Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. CohenJournal of Molecular Biology, 1997
- A Fast Flexible Docking Method using an Incremental Construction AlgorithmJournal of Molecular Biology, 1996
- Cluster analysis of molecular conformationsJournal of Computational Chemistry, 1994