A New Mixed All-Atom/Coarse-Grained Model: Application to Melittin Aggregation in Aqueous Solution
Shelley, Mee Y, Selvan, Myvizhi Esai, Zhao, Jun, Babin, Volodymyr, Liao, Chenyi, Li, Jianing, Shelley, John C
Published in Journal of chemical theory and computation (08.08.2017)
Published in Journal of chemical theory and computation (08.08.2017)
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Journal Article
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
Friesner, Richard A, Banks, Jay L, Murphy, Robert B, Halgren, Thomas A, Klicic, Jasna J, Mainz, Daniel T, Repasky, Matthew P, Knoll, Eric H, Shelley, Mee, Perry, Jason K, Shaw, David E, Francis, Perry, Shenkin, Peter S
Published in Journal of medicinal chemistry (25.03.2004)
Published in Journal of medicinal chemistry (25.03.2004)
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Journal Article
A Coarse Grain Model for Phospholipid Simulations
Shelley, John C, Shelley, Mee Y, Reeder, Robert C, Bandyopadhyay, Sanjoy, Klein, Michael L
Published in The journal of physical chemistry. B (17.05.2001)
Published in The journal of physical chemistry. B (17.05.2001)
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Journal Article
Computer simulation of surfactant solutions
Shelley, John C, Shelley, Mee Y
Published in Current opinion in colloid & interface science (01.03.2000)
Published in Current opinion in colloid & interface science (01.03.2000)
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Journal Article
Simulations of Phospholipids Using a Coarse Grain Model
Shelley, John C, Shelley, Mee Y, Reeder, Robert C, Bandyopadhyay, Sanjoy, Moore, Preston B, Klein, Michael L
Published in The journal of physical chemistry. B (11.10.2001)
Published in The journal of physical chemistry. B (11.10.2001)
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Journal Article
μSR Studies of Hyperfine Couplings and Molecular Interactions of the Mu-Cyclohexadienyl Radical in Y-Zeolites and in Solid Bulk Benzene
Fleming, Donald G, Arseneau, Donald J, Shelley, Mee Y, Beck, Bettina, Dilger, Herbert, Roduner, Emil
Published in Journal of physical chemistry. C (09.06.2011)
Published in Journal of physical chemistry. C (09.06.2011)
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Journal Article
Computer simulation studies of biomembranes using a coarse grain model
Lopez, Carlos F., Moore, Preston B., Shelley, John C., Shelley, Mee Y., Klein, Michael L.
Published in Computer physics communications (01.08.2002)
Published in Computer physics communications (01.08.2002)
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Journal Article
Conference Proceeding
Enabling structure-based drug discovery utilizing predicted models
Miller, Edward B., Hwang, Howook, Shelley, Mee, Placzek, Andrew, Rodrigues, João P.G.L.M., Suto, Robert K., Wang, Lingle, Akinsanya, Karen, Abel, Robert
Published in Cell (01.02.2024)
Published in Cell (01.02.2024)
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Journal Article
Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis
Leit, Silvana, Greenwood, Jeremy R., Mondal, Sayan, Carriero, Samantha, Dahlgren, Markus, Harriman, Geraldine C., Kennedy-Smith, Joshua J., Kapeller, Rosana, Lawson, Jon P., Romero, Donna L., Toms, Angela V., Shelley, Mee, Wester, Ronald T., Westlin, William, McElwee, Joshua J., Miao, Wenyan, Edmondson, Scott D., Masse, Craig E.
Published in Bioorganic & medicinal chemistry letters (01.10.2022)
Published in Bioorganic & medicinal chemistry letters (01.10.2022)
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Journal Article
Melittin Aggregation in Aqueous Solutions: Insight from Molecular Dynamics Simulations
Liao, Chenyi, Esai Selvan, Myvizhi, Zhao, Jun, Slimovitch, Jonathan L, Schneebeli, Severin T, Shelley, Mee, Shelley, John C, Li, Jianing
Published in The journal of physical chemistry. B (20.08.2015)
Published in The journal of physical chemistry. B (20.08.2015)
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Journal Article
Studying Peptide Aggregation using Mixed All-Atom/Coarse Grain Molecular Dynamics Simulations
Shelley, John C., Shelley, Mee, Esai Selvan, Myvizhi, Zhao, Jun, Babin, Volodymyr, Liao, Chenyi, Li, Jianing
Published in Biophysical journal (03.02.2017)
Published in Biophysical journal (03.02.2017)
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Journal Article
Identification of highly potent and selective Tyk2 inhibitors for the treatment of autoimmune diseases through structure-based drug design (THER2P.961)
Masse, Craig, Miao, Wenyan, Greenwood, Jeremy, Shelley, Mee, Kennedy-Smith, Joshua, Kapeller, Rosana
Published in The Journal of immunology (1950) (01.05.2015)
Published in The Journal of immunology (1950) (01.05.2015)
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Journal Article
Synergistic Blockade Of Activated B Cell-Like DLBCL Proliferation With a Selective Inhibitor Of IRAK4 In Combination With Inhibition Of The B-Cell Receptor Signaling Network
Chaudhary, Divya, Wood, Nancy, Romero, Donna L., Robinson, Shaughnessy D., Greenwood, Jeremy R, Shelley, Mee, Morin, Michael, Kapeller, Rosana, Westlin, William F
Published in Blood (15.11.2013)
Published in Blood (15.11.2013)
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Journal Article
Flexible ligand docking with Glide
Repasky, Matthew P, Shelley, Mee, Friesner, Richard A
Published in Current protocols in bioinformatics (01.06.2007)
Published in Current protocols in bioinformatics (01.06.2007)
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Journal Article
IRAK IRAK INHIBITORS AND USES THEREOF
GREENWOOD JEREMY ROBERT, MASSE CRAIG E, SHELLEY MEE, HARRIMAN GERALDINE C, ROMERO DONNA L, ROBINSON SHAUGHNESSY
Year of Publication 20.12.2016
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Year of Publication 20.12.2016
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