Consensus scoring for ligand/protein interactions.

By R. Clark, A. Strizhev, J. Leonard, J. F. Blake, J. B. Matthew. Journal of Molecular Graphics and Modelling, 2002

349 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Materials Chemistry, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/ff57c2987edf82e3910550b9767304082ca0218c

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In Computational Theory and Mathematics

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Citations in the corpus

Advances and Challenges in Protein-Ligand Docking (2010, background): “Therefore, the main issue in consensus scoring is how to make the combination rule for individual scores so that the true binders can be discriminated from others according to the consensus rule [150,151].”
Protein-ligand docking in the new millennium--a retrospective of 10 years in the field. (2013, background): “Historically, most of these comparisons have been made in terms of their ability to reproduce the X-ray pose of selected ligands [8, 18, 21, 32-50], their capability to predict binding free energies from the best-scored pose [16, 21, 24, 27, 28, 35, 51-56], or their ability to identify known binders”
Comparative evaluation of eight docking tools for docking and virtual screening accuracy (2004, background): “26,29,32,35,42 We even reported discrepancies be-tween docking and screening accuracies, 26 which is rather frustrating in a structure-based screening approach.”
Comparing protein–ligand docking programs is difficult (2005, background): “45,46 In this situation, it is essential to perform local optimization of the docking solution with respect to each of the scoring functions.”
Evaluation of docking performance: comparative data on docking algorithms. (2004, background): “1bnt active site (7) active site ( 24 ) inaccurate (5) active site (1) active site (34) 1bnm inaccurate (1) inaccurate close (27) close (48) active site (1) 1bn1 active site (4) inaccurate close (17) active site (40) close (1) 1i9l active site (47) active site (53) active site (19) close (1) inaccur”
Molecular docking: a powerful approach for structure-based drug discovery. (2011, methodology): “CScore [94] is an example of which combines DOCK, ChemScore, PMF, GOLD, and FlexX scoring functions.”