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Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists

Liu, Hongtao ; Hofmann, Josefa ; Fish, Inbar ; Schaake, Benjamin ; Eitel, Katrin ; Bartuschat, Amelie ; Kaindl, Jonas ; Rampp, Hannelore ; Banerjee, Ashutosh ; Hübner, Harald ; Clark, Mary J ; Vincent, Sandra G ; Fisher, John T ; Heinrich, Markus R ; Hirata, Kunio ; Liu, Xiangyu ; Sunahara, Roger K ; Shoichet, Brian K ; Kobilka, Brian K ; Gmeiner, Peter

Proceedings of the National Academy of Sciences of the United States of America, 20 November 2018, Vol.115(47), pp.12046-12050 [Peer Reviewed Journal]

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Roles for Ordered and Bulk Solvent in Ligand Recognition and Docking in Two Related Cavities

Barelier, Sarah ; Boyce, Sarah E ; Fish, Inbar ; Fischer, Marcus ; Goodin, David B ; Shoichet, Brian K Najmanovich, Rafael Josef (editor)

PLoS ONE, 2013, Vol.8(7) [Peer Reviewed Journal]

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Blind Prediction of Charged Ligand Binding Affinities in a Model Binding Site

Rocklin, Gabriel J ; Boyce, Sarah E ; Fischer, Marcus ; Fish, Inbar ; Mobley, David L ; Shoichet, Brian K ; Dill, Ken A

Journal of Molecular Biology, 15 November 2013, Vol.425(22), pp.4569-4583 [Peer Reviewed Journal]

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Identification of Novel Smoothened Ligands Using Structure-Based Docking

Lacroix, Celine ; Fish, Inbar ; Torosyan, Hayarpi ; Parathaman, Pranavan ; Irwin, John J ; Shoichet, Brian K ; Angers, Stephane Xie, Jingwu (editor)

PLoS ONE, 2016, Vol.11(8) [Peer Reviewed Journal]

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Structure-Based Design and Discovery of New M Receptor Agonists

Fish, Inbar ; Stößel, Anne ; Eitel, Katrin ; Valant, Celine ; Albold, Sabine ; Huebner, Harald ; Möller, Dorothee ; Clark, Mary J ; Sunahara, Roger K ; Christopoulos, Arthur ; Shoichet, Brian K ; Gmeiner, Peter

Journal of medicinal chemistry, 22 November 2017, Vol.60(22), pp.9239-9250 [Peer Reviewed Journal]

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Increasing chemical space coverage by combining empirical and computational fragment screens

Barelier, Sarah ; Eidam, Oliv ; Fish, Inbar ; Hollander, Johan ; Figaroa, Francis ; Nachane, Ruta ; Irwin, John J ; Shoichet, Brian K ; Siegal, Gregg

ACS chemical biology, 18 July 2014, Vol.9(7), pp.1528-35 [Peer Reviewed Journal]

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Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists

Liu, Hongtao ; Hofmann, Josefa ; Fish, Inbar ; Schaake, Benjamin ; Eitel, Katrin ; Bartuschat, Amelie ; Kaindl, Jonas ; Rampp, Hannelore ; Banerjee, Ashutosh ; Huebner, Harald ; Clark, Mary J ; Vincent, Sandra G ; Fisher, John T ; Heinrich, Markus R ; Hirata, Kunio ; Liu, Xiangyu ; Sunahara, Roger K ; Shoichet, Brian K ; Kobilka, Brian K ; Gmeiner, Peter

2018

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