Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field
Wang, Lingle, Wu, Yujie, Deng, Yuqing, Kim, Byungchan, Pierce, Levi, Krilov, Goran, Lupyan, Dmitry, Robinson, Shaughnessy, Dahlgren, Markus K, Greenwood, Jeremy, Romero, Donna L, Masse, Craig, Knight, Jennifer L, Steinbrecher, Thomas, Beuming, Thijs, Damm, Wolfgang, Harder, Ed, Sherman, Woody, Brewer, Mark, Wester, Ron, Murcko, Mark, Frye, Leah, Farid, Ramy, Lin, Teng, Mobley, David L, Jorgensen, William L, Berne, Bruce J, Friesner, Richard A, Abel, Robert
Published in Journal of the American Chemical Society (25.02.2015)
Published in Journal of the American Chemical Society (25.02.2015)
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Journal Article
Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279
Leit, Silvana, Greenwood, Jeremy, Carriero, Samantha, Mondal, Sayan, Abel, Robert, Ashwell, Mark, Blanchette, Heather, Boyles, Nicholas A., Cartwright, Mark, Collis, Alan, Feng, Shulu, Ghanakota, Phani, Harriman, Geraldine C., Hosagrahara, Vinayak, Kaila, Neelu, Kapeller, Rosanna, Rafi, Salma B., Romero, Donna L., Tarantino, Paul M., Timaniya, Jignesh, Toms, Angela V., Wester, Ronald T., Westlin, William, Srivastava, Bhaskar, Miao, Wenyan, Tummino, Peter, McElwee, Joshua J., Edmondson, Scott D., Masse, Craig E.
Published in Journal of medicinal chemistry (10.08.2023)
Published in Journal of medicinal chemistry (10.08.2023)
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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
Anti‐leukaemic activity of the TYK2 selective inhibitor NDI‐031301 in T‐cell acute lymphoblastic leukaemia
Akahane, Koshi, Li, Zhaodong, Etchin, Julia, Berezovskaya, Alla, Gjini, Evisa, Masse, Craig E., Miao, Wenyan, Rocnik, Jennifer, Kapeller, Rosana, Greenwood, Jeremy R., Tiv, Hong, Sanda, Takaomi, Weinstock, David M., Look, A. Thomas
Published in British journal of haematology (01.04.2017)
Published in British journal of haematology (01.04.2017)
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X‑ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein
Molodtsov, Vadim, Fleming, Paul R, Eyermann, Charles J, Ferguson, Andrew D, Foulk, Melinda A, McKinney, David C, Masse, Craig E, Buurman, Ed T, Murakami, Katsuhiko S
Published in Journal of medicinal chemistry (09.04.2015)
Published in Journal of medicinal chemistry (09.04.2015)
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Journal Article
The Exceptional Chelating Ability of Dimethylaluminum Chloride and Methylaluminum Dichloride. The Merged Stereochemical Impact of α- and β-Stereocenters in Chelate-Controlled Carbonyl Addition Reactions with Enolsilane and Hydride Nucleophiles
Evans, David A, Allison, Brett D, Yang, Michael G, Masse, Craig E
Published in Journal of the American Chemical Society (07.11.2001)
Published in Journal of the American Chemical Society (07.11.2001)
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Journal Article
Syntheses and Biological Evaluation of (+)-Lactacystin and Analogs
Masse, Craig E., Morgan, Adam J., Adams, Julian, Panek, James S.
Published in European journal of organic chemistry (01.07.2000)
Published in European journal of organic chemistry (01.07.2000)
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Journal Article
A General Method for the Enantioselective Synthesis of Pantolactone Derivatives
Evans, David A, Wu, Jimmy, Masse, Craig E, MacMillan, David W. C
Published in Organic letters (03.10.2002)
Published in Organic letters (03.10.2002)
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Journal Article
Design and synthesis of deuterated boceprevir analogs with enhanced pharmacokinetic properties
Morgan, Adam J., Nguyen, Sophia, Uttamsingh, Vinita, Bridson, Gary, Harbeson, Scott, Tung, Roger, Masse, Craig E.
Published in Journal of labelled compounds & radiopharmaceuticals (01.07.2011)
Published in Journal of labelled compounds & radiopharmaceuticals (01.07.2011)
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Journal Article
TYK2 inhibition reduces type 3 immunity and modifies disease progression in murine spondyloarthritis
Gracey, Eric, Hromadová, Dominika, Lim, Melissa, Qaiyum, Zoya, Zeng, Michael, Yao, Yuchen, Srinath, Archita, Baglaenko, Yuriy, Yeremenko, Natalia, Westlin, William, Masse, Craig, Müller, Mathias, Strobl, Birgit, Miao, Wenyan, Inman, Robert D
Published in The Journal of clinical investigation (01.04.2020)
Published in The Journal of clinical investigation (01.04.2020)
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Journal Article
Accelerating drug discovery through tight integration of expert molecular design and predictive scoring
Abel, Robert, Mondal, Sayan, Masse, Craig, Greenwood, Jeremy, Harriman, Geraldine, Ashwell, Mark A, Bhat, Sathesh, Wester, Ronald, Frye, Leah, Kapeller, Rosana, Friesner, Richard A
Published in Current opinion in structural biology (01.04.2017)
Published in Current opinion in structural biology (01.04.2017)
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Preclinical evaluation of tyrosine kinase 2 inhibitors for human beta‐cell protection in type 1 diabetes
Coomans de Brachène, Alexandra, Castela, Angela, Op de Beeck, Anne, Mirmira, Raghavendra G., Marselli, Lorella, Marchetti, Piero, Masse, Craig, Miao, Wenyan, Leit, Silvana, Evans‐Molina, Carmella, Eizirik, Decio L.
Published in Diabetes, obesity & metabolism (01.10.2020)
Published in Diabetes, obesity & metabolism (01.10.2020)
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