Application of artificial intelligence and machine learning techniques to the analysis of dynamic protein sequences von Kombo, David C., LaMarche, Matthew J., Konkankit, Chilaluck C., Rackovsky, S.

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3D Molecular Descriptors Important for Clinical Success von Kombo, David C, Tallapragada, Kartik, Jain, Rachit, Chewning, Joseph, Mazurov, Anatoly A, Speake, Jason D, Hauser, Terry A, Toler, Steve

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Comparative Study on the Use of Docking and Bayesian Categorization To Predict Ligand Binding to Nicotinic Acetylcholine Receptors (nAChRs) Subtypes von Kombo, David C, Bencherif, Merouane

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Predictions of Colloidal Molecular Aggregation Using AI/ML Models von Kombo, David C., Stepp, J. David, Lim, Sungtaek, Elshorst, Bettina, Li, Yi, Cato, Laura, Shomali, Maysoun, Fink, David, LaMarche, Matthew J.

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Confirmed diagnosis of classic Wiskott-Aldrich syndrome in East Africa: a case report von Kiputa, Mpokigwa, Urio, Obrey, Maghembe, Anna, Kombo, David, Dhalla, Sajda, Ndembo, Victoria, Muze, Kandi, Kahwa, Mariam, Fakih, Zameer, Kija, Edward

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Comparison of acetylcholine receptor interactions of the marine toxins, 13-desmethylspirolide C and gymnodimine von Hauser, Terry A., Hepler, Christopher D., Kombo, David C., Grinevich, Vladimir P., Kiser, Melanie N., Hooker, Dawn N., Zhang, Jiahui, Mountfort, Douglas, Selwood, Andrew, Akireddy, S. Rao, Letchworth, Sharon R., Yohannes, Daniel

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Discovery of (2S,3R)‑N‑[2-(Pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzo[b]furan-2-carboxamide (TC-5619), a Selective α7 Nicotinic Acetylcholine Receptor Agonist, for the T... von Mazurov, Anatoly A, Kombo, David C, Hauser, Terry A, Miao, Lan, Dull, Gary, Genus, John F, Fedorov, Nikolai B, Benson, Lisa, Sidach, Serguei, Xiao, Yunde, Hammond, Philip S, James, John W, Miller, Craig H, Yohannes, Daniel

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Novel nicotinic acetylcholine receptor agonists containing carbonyl moiety as a hydrogen bond acceptor von Mazurov, Anatoly A., Kombo, David C., Akireddy, Srinivasa, Murthy, Srinivasa, Hauser, Terry A., Jordan, Kristen G., Gatto, Gregory J., Yohannes, Daniel

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Computational studies of novel carbonyl-containing diazabicyclic ligands interacting with α4β2 nicotinic acetylcholine receptor (nAChR) reveal alternative binding modes von Kombo, David C., Mazurov, Anatoly A., Strachan, Jon-Paul, Bencherif, Merouane

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QM-polarized ligand docking accurately predicts the trend in binding affinity of a series of arylmethylene quinuclidine-like derivatives at the α4β2 and α3β4 nicotinic acetylcholin... von Kombo, David C., Grinevich, Vladimir P., Hauser, Terry A., Sidach, Serguei, Bencherif, Merouane

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Identification and pharmacological characterization of 3,6-diazabicyclo[3.1.1]heptane-3-carboxamides as novel ligands for the α4β2 and α6/α3β2β3 nicotinic acetylcholine receptors (... von Strachan, Jon-Paul, Kombo, David C., Mazurov, Anatoly, Heemstra, Ronald, Bhatti, Balwinder S., Akireddy, Rao, Murthy, Srinivasa, Miao, Lan, Jett, John E., Speake, Jason, Bencherif, Merouane

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Discovery of novel alpha 7 nicotinic acetylcholine receptor ligands via pharmacophoric and docking studies of benzylidene anabaseine analogs von Kombo, David C, Mazurov, Anatoly A, Chewning, Joseph, Hammond, Philip S, Tallapragada, Kartik, Hauser, Terry A, Speake, Jason, Yohannes, Daniel, Caldwell, William S

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Discovery of novel α7 nicotinic acetylcholine receptor ligands via pharmacophoric and docking studies of benzylidene anabaseine analogs von Kombo, David C., Mazurov, Anatoly A., Chewning, Joseph, Hammond, Philip S., Tallapragada, Kartik, Hauser, Terry A., Speake, Jason, Yohannes, Daniel, Caldwell, William S.

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Docking studies of benzylidene anabaseine interactions with α7 nicotinic acetylcholine receptor (nAChR) and acetylcholine binding proteins (AChBPs): Application to the design of re... von Kombo, David C., Mazurov, Anatoly, Tallapragada, Kartik, Hammond, Philip S., Chewning, Joseph, Hauser, Terry A., Vasquez-Valdivieso, Montserrat, Yohannes, Daniel, Talley, Todd T., Taylor, Palmer, Caldwell, William S.

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Pharmacological properties and predicted binding mode of arylmethylene quinuclidine-like derivatives at the α3β4 nicotinic acetylcholine receptor (nAChR) von Kombo, David C., Hauser, Terry A., Grinevich, Vladimir P., Melvin, Matthew S., Strachan, Jon-Paul, Sidach, Serguei S., Chewning, Joseph, Fedorov, Nikolai, Tallapragada, Kartik, Breining, Scott R., Miller, Craig H.

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Making SharePoint® Chemically Aware von Tallapragada, Kartik, Chewning, Joseph, Kombo, David, Ludwick, Beverly

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QM-polarized ligand docking accurately predicts the trend in binding affinity of a series of arylmethylene quinuclidine-like derivatives at the I-4I22 and I-3I24 nicotinic acetylch... von Kombo, David, Grinevich, Vladimir, Hauser, Terry, Sidach, Serguei, Bencherif, Merouane

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Computational studies of novel carbonyl-containing diazabicyclic ligands interacting with I-4I22 nicotinic acetylcholine receptor (nAChR) reveal alternative binding modes von Kombo, David, Mazurov, Anatoly, Strachan, Jon-Paul, Bencherif, Merouane

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Theoretical Studies of Hydrogen Abstraction from 2-Propanol by OH Radical von Luo, Ning, Kombo, David C, Osman, Roman

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Discovery of 3‑(5-Chloro-2-furoyl)-3,7-diazabicyclo[3.3.0]octane (TC-6683, AZD1446), a Novel Highly Selective α4β2 Nicotinic Acetylcholine Receptor Agonist for the Treatment of Cog... von Mazurov, Anatoly A, Miao, Lan, Bhatti, Balwinder S, Strachan, Jon-Paul, Akireddy, Srinivasa, Murthy, Srinivasa, Kombo, David, Xiao, Yun-de, Hammond, Philip, Zhang, Jenny, Hauser, Terry A, Jordan, Kristen G, Miller, Craig H, Speake, Jason D, Gatto, Gregory J, Yohannes, Daniel

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