Fragment-to-Lead Medicinal Chemistry Publications in 2018
Erlanson, Daniel A, de Esch, Iwan J. P, Jahnke, Wolfgang, Johnson, Christopher N, Mortenson, Paul N
Published in Journal of medicinal chemistry (14.05.2020)
Published in Journal of medicinal chemistry (14.05.2020)
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Journal Article
Efficient exploration of chemical space by fragment-based screening
Hall, Richard J., Mortenson, Paul N., Murray, Christopher W.
Published in Progress in biophysics and molecular biology (01.11.2014)
Published in Progress in biophysics and molecular biology (01.11.2014)
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Journal Article
Fragment-to-Lead Medicinal Chemistry Publications in 2016
Johnson, Christopher N, Erlanson, Daniel A, Jahnke, Wolfgang, Mortenson, Paul N, Rees, David C
Published in Journal of medicinal chemistry (08.03.2018)
Published in Journal of medicinal chemistry (08.03.2018)
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Journal Article
Fragment-to-Lead Medicinal Chemistry Publications in 2017
Mortenson, Paul N, Erlanson, Daniel A, de Esch, Iwan J P, Jahnke, Wolfgang, Johnson, Christopher N
Published in Journal of medicinal chemistry (25.04.2019)
Published in Journal of medicinal chemistry (25.04.2019)
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Journal Article
Fragment-to-Lead Medicinal Chemistry Publications in 2019
Jahnke, Wolfgang, Erlanson, Daniel A, de Esch, Iwan J. P, Johnson, Christopher N, Mortenson, Paul N, Ochi, Yuji, Urushima, Tatsuya
Published in Journal of medicinal chemistry (24.12.2020)
Published in Journal of medicinal chemistry (24.12.2020)
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Journal Article
Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance
Hartshorn, Michael J, Verdonk, Marcel L, Chessari, Gianni, Brewerton, Suzanne C, Mooij, Wijnand T. M, Mortenson, Paul N, Murray, Christopher W
Published in Journal of medicinal chemistry (22.02.2007)
Published in Journal of medicinal chemistry (22.02.2007)
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Journal Article
Assessing the lipophilicity of fragments and early hits
Mortenson, Paul N., Murray, Christopher W.
Published in Journal of computer-aided molecular design (01.07.2011)
Published in Journal of computer-aided molecular design (01.07.2011)
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Journal Article
Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins
Morado, João, Mortenson, Paul N., Nissink, J. Willem M., Essex, Jonathan W., Skylaris, Chris-Kriton
Published in Journal of chemical information and modeling (08.05.2023)
Published in Journal of chemical information and modeling (08.05.2023)
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Journal Article
Structure–Activity and Structure–Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2‑Related Factor 2 (KEAP1/NRF2) Protein–Protein Interaction
Heightman, Tom D, Callahan, James F, Chiarparin, Elisabetta, Coyle, Joseph E, Griffiths-Jones, Charlotte, Lakdawala, Ami S, McMenamin, Rachel, Mortenson, Paul N, Norton, David, Peakman, Torren M, Rich, Sharna J, Richardson, Caroline, Rumsey, William L, Sanchez, Yolanda, Saxty, Gordon, Willems, Henriëtte M. G, Wolfe, Lawrence, Woolford, Alison J.-A, Wu, Zining, Yan, Hongxing, Kerns, Jeffrey K, Davies, Thomas G
Published in Journal of medicinal chemistry (09.05.2019)
Published in Journal of medicinal chemistry (09.05.2019)
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Journal Article
Docking Performance of Fragments and Druglike Compounds
Verdonk, Marcel L, Giangreco, Ilenia, Hall, Richard J, Korb, Oliver, Mortenson, Paul N, Murray, Christopher W
Published in Journal of medicinal chemistry (11.08.2011)
Published in Journal of medicinal chemistry (11.08.2011)
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Journal Article
Predicting “Hot” and “Warm” Spots for Fragment Binding
Rathi, Prakash Chandra, Ludlow, R. Frederick, Hall, Richard J, Murray, Christopher W, Mortenson, Paul N, Verdonk, Marcel L
Published in Journal of medicinal chemistry (11.05.2017)
Published in Journal of medicinal chemistry (11.05.2017)
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Journal Article
Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase‑2 (SHP2)
Day, James E. H., Berdini, Valerio, Castro, Joan, Chessari, Gianni, Davies, Thomas G., Day, Philip J., St. Denis, Jeffrey D., Fujiwara, Hideto, Fukaya, Satoshi, Hamlett, Christopher C. F., Hearn, Keisha, Hiscock, Steven D., Holvey, Rhian S., Ito, Satoru, Kandola, Navrohit, Kodama, Yasuo, Liebeschuetz, John W., Martins, Vanessa, Matsuo, Kenichi, Mortenson, Paul N., Muench, Sandra, Nakatsuru, Yoko, Ochiiwa, Hiroaki, Palmer, Nicholas, Peakman, Torren, Price, Amanda, Reader, Michael, Rees, David C., Rich, Sharna J., Shah, Alpesh, Shibata, Yoshihiro, Smyth, Tomoko, Twigg, David G., Wallis, Nicola G., Williams, Glyn, Wilsher, Nicola E., Woodhead, Andrew, Shimamura, Tadashi, Johnson, Christopher N.
Published in Journal of medicinal chemistry (28.03.2024)
Published in Journal of medicinal chemistry (28.03.2024)
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Journal Article
Generation of Quantum Configurational Ensembles Using Approximate Potentials
Morado, João, Mortenson, Paul N, Nissink, J. Willem M, Verdonk, Marcel L, Ward, Richard A, Essex, Jonathan W, Skylaris, Chris-Kriton
Published in Journal of chemical theory and computation (09.11.2021)
Published in Journal of chemical theory and computation (09.11.2021)
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Journal Article
Protein−Ligand Docking against Non-Native Protein Conformers
Verdonk, Marcel L, Mortenson, Paul N, Hall, Richard J, Hartshorn, Michael J, Murray, Christopher W
Published in Journal of Chemical Information and Modeling (24.11.2008)
Published in Journal of Chemical Information and Modeling (24.11.2008)
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Journal Article
Fragment-to-Lead Medicinal Chemistry Publications in 2016: Miniperspective
Johnson, Christopher N, Erlanson, Daniel A, Jahnke, Wolfgang, Mortenson, Paul N, Rees, David C
Published in Journal of medicinal chemistry (08.03.2018)
Published in Journal of medicinal chemistry (08.03.2018)
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Journal Article
Fragment-to-Lead Medicinal Chemistry Publications in 2017: Miniperspective
Mortenson, Paul N, Erlanson, Daniel A, de Esch, Iwan J. P, Jahnke, Wolfgang, Johnson, Christopher N
Published in Journal of medicinal chemistry (25.04.2019)
Published in Journal of medicinal chemistry (25.04.2019)
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Journal Article
A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors
Schulte, Christie A., Deaton, David N., Diaz, Elsie, Do, Young, Gampe, Robert T., Guss, Jeffrey H., Hancock, Ashley P., Hobbs, Heather, Hodgson, Simon T., Holt, Jason, Jeune, Michael R., Kahler, Kirsten M., Kramer, H. Fritz, Le, Joelle, Mortenson, Paul N., Musetti, Caterina, Nolte, Robert T., Orband-Miller, Lisa A., Peckham, Gregory E., Petrov, Kim G., Pietrak, Beth L., Poole, Chuck, Price, Daniel J., Saxty, Gordon, Shillings, Anthony, Smalley, Terrence L., Somers, Don O., Stewart, Eugene L., Stuart, J. Darren, Thomson, Stephen A.
Published in Bioorganic & medicinal chemistry letters (01.09.2021)
Published in Bioorganic & medicinal chemistry letters (01.09.2021)
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Journal Article