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Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models

Abba E. Leffler, Alexander Kuryatov, Henry A. Zebroski, Susan R. Powell, Petr Filipenko, Adel K. Hussein, Juliette Gorson, Anna Heizmann, Sergey Lyskov, Richard W. Tsien, Sébastien F. Poget, Annette Nicke, Jon Lindstrom, Bernardo Rudy, Richard Bonneau, and Mandë Holford
PNAS published ahead of print September 5, 2017 https://doi.org/10.1073/pnas.1703952114
Abba E. Leffler
aNeuroscience Graduate Program, Sackler Institute of Graduate Biomedical Sciences, New York University School of Medicine, New York, NY 10016;
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Alexander Kuryatov
bDepartment of Neuroscience, University of Pennsylvania Perelman School of Medicine, Philadelphia, PA 19104;
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Henry A. Zebroski
cProteomics Resource Center, The Rockefeller University, New York, NY 10065;
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Susan R. Powell
cProteomics Resource Center, The Rockefeller University, New York, NY 10065;
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Petr Filipenko
dDepartment of Chemistry, Belfer Research Center–Hunter College, New York, NY 10021;eDivision of Invertebrate Zoology, The American Museum of Natural History, New York, NY 10024;fDepartment of Biochemistry, Weill Cornell Medical College, Cornell University, New York, NY 10021;
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Adel K. Hussein
gDepartment of Chemistry, College of Staten Island, Staten Island, NY 10314;hProgram in Biochemistry, The Graduate Center, City University of New York, New York, NY 10016;
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Juliette Gorson
dDepartment of Chemistry, Belfer Research Center–Hunter College, New York, NY 10021;eDivision of Invertebrate Zoology, The American Museum of Natural History, New York, NY 10024;fDepartment of Biochemistry, Weill Cornell Medical College, Cornell University, New York, NY 10021;hProgram in Biochemistry, The Graduate Center, City University of New York, New York, NY 10016;
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Anna Heizmann
iWalther Straub Institute of Pharmacology and Toxicology, LMU Munich, 80336 Munich, Germany;
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Sergey Lyskov
jDepartment of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD 21218;
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Richard W. Tsien
kNYU Neuroscience Institute and the Department of Neuroscience and Physiology, New York University School of Medicine, New York, NY 10016;
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  • For correspondence: richard.tsien@nyumc.orgmholford@hunter.cuny.edu
Sébastien F. Poget
gDepartment of Chemistry, College of Staten Island, Staten Island, NY 10314;hProgram in Biochemistry, The Graduate Center, City University of New York, New York, NY 10016;
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Annette Nicke
iWalther Straub Institute of Pharmacology and Toxicology, LMU Munich, 80336 Munich, Germany;
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Jon Lindstrom
bDepartment of Neuroscience, University of Pennsylvania Perelman School of Medicine, Philadelphia, PA 19104;
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Bernardo Rudy
kNYU Neuroscience Institute and the Department of Neuroscience and Physiology, New York University School of Medicine, New York, NY 10016;
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Richard Bonneau
lDepartment of Biology, New York University, New York, NY 10003;mCourant Institute of Mathematical Sciences, New York University, New York, NY 10012;nCenter for Computational Biology, Simons Foundation, New York, NY 10010
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Mandë Holford
dDepartment of Chemistry, Belfer Research Center–Hunter College, New York, NY 10021;eDivision of Invertebrate Zoology, The American Museum of Natural History, New York, NY 10024;fDepartment of Biochemistry, Weill Cornell Medical College, Cornell University, New York, NY 10021;hProgram in Biochemistry, The Graduate Center, City University of New York, New York, NY 10016;
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  • For correspondence: richard.tsien@nyumc.orgmholford@hunter.cuny.edu

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