Docking Validation Resources: Protein Family and Ligand Flexibility Experiments
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چکیده
منابع مشابه
Docking Validation Resources: Protein Family and Ligand Flexibility Experiments
A database consisting of 780 ligand-receptor complexes, termed SB2010, has been derived from the Protein Databank to evaluate the accuracy of docking protocols for regenerating bound ligand conformations. The goal is to provide easily accessible community resources for development of improved procedures to aid virtual screening for ligands with a wide range of flexibilities. Three core experime...
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Acknowledgements I would like to start by thanking Prof. Meir Edelman and Dr. Vladimir Sobolev for their guidance and the high level of scientific independence they trusted in me. A different posture would not have permitted my full development as a free thinker. I would like to thank Professors Ron Unger and Amnon Horovitz for their valuable comments throughout this work as assigned readers of...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Modeling
سال: 2010
ISSN: 1549-9596,1549-960X
DOI: 10.1021/ci1001982