Potential and Limitations of Ensemble Docking
Korb, Oliver, Olsson, Tjelvar S. G., Bowden, Simon J., Hall, Richard J., Verdonk, Marcel L., Liebeschuetz, John W., Cole, Jason C.
Published in Journal of chemical information and modeling (25.05.2012)
Published in Journal of chemical information and modeling (25.05.2012)
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Journal Article
Testing Assumptions and Hypotheses for Rescoring Success in Protein−Ligand Docking
O’Boyle, Noel M, Liebeschuetz, John W, Cole, Jason C
Published in Journal of Chemical Information and Modeling (24.08.2009)
Published in Journal of Chemical Information and Modeling (24.08.2009)
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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
Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of β‑Glucocerebrosidase
Palmer, Nick, Agnew, Christopher, Benn, Caroline, Buffham, William J., Castro, Joan N., Chessari, Gianni, Clark, Mellissa, Cons, Benjamin D., Coyle, Joseph E., Dawson, Lee A., Hamlett, Christopher C. F., Hodson, Charlotte, Holding, Finn, Johnson, Christopher N., Liebeschuetz, John W., Mahajan, Pravin, McCarthy, James M., Murray, Christopher W., O’Reilly, Marc, Peakman, Torren, Price, Amanda, Rapti, Magdalini, Reeks, Judith, Schöpf, Patrick, St-Denis, Jeffrey D., Valenzano, Chiara, Wallis, Nicola G., Walser, Reto, Weir, Heather, Wilsher, Nicola E., Woodhead, Andrew, Bento, Carla F., Tisi, Dominic
Published in Journal of medicinal chemistry (11.07.2024)
Published in Journal of medicinal chemistry (11.07.2024)
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Journal Article
New active leads for tuberculosis booster drugs by structure-based drug discovery
Tatum, Natalie J, Liebeschuetz, John W, Cole, Jason C, Frita, Rosangela, Herledan, Adrien, Baulard, Alain R, Willand, Nicolas, Pohl, Ehmke
Published in Organic & biomolecular chemistry (2017)
Published in Organic & biomolecular chemistry (2017)
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Journal Article
The Hydrogen Bond Environments of 1H-Tetrazole and Tetrazolate Rings: The Structural Basis for Tetrazole–Carboxylic Acid Bioisosterism
Allen, Frank H, Groom, Colin R, Liebeschuetz, John W, Bardwell, David A, Olsson, Tjelvar S.G, Wood, Peter A
Published in Journal of chemical information and modeling (26.03.2012)
Published in Journal of chemical information and modeling (26.03.2012)
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Journal Article
Structural and docking studies of potent ethionamide boosters
Tatum, Natalie J., Villemagne, Baptiste, Willand, Nicolas, Deprez, Benoit, Liebeschuetz, John W., Baulard, Alain R., Pohl, Ehmke
Published in Acta crystallographica. Section C, Crystal structure communications (01.11.2013)
Published in Acta crystallographica. Section C, Crystal structure communications (01.11.2013)
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Journal Article
PRO_SELECT: Combining Structure-Based Drug Design and Array-Based Chemistry for Rapid Lead Discovery. 2. The Development of a Series of Highly Potent and Selective Factor Xa Inhibitors
Liebeschuetz, John W, Jones, Stuart D, Morgan, Phillip J, Murray, Chris W, Rimmer, Andrew D, Roscoe, Jonathan M. E, Waszkowycz, Bohdan, Welsh, Pauline M, Wylie, William A, Young, Stephen C, Martin, Harry, Mahler, Jacqui, Brady, Leo, Wilkinson, Kay
Published in Journal of medicinal chemistry (14.03.2002)
Published in Journal of medicinal chemistry (14.03.2002)
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Journal Article
Investigation of the terminal P4 domain in a series of d-phenylglycinamide-based factor Xa inhibitors
Franciskovich, Jeffry B., Masters, John J., Weber, Wayne W., Klimkowski, Valentine J., Chouinard, Michael, Sipes, Philip R., Johnson, Lea M., Snyder, David W., Chastain, Marcia K., Craft, Trelia J., Towner, Richard D., Gifford-Moore, Donetta S., Froelich, Larry L., Smallwood, Jeffrey K., Foster, Ronald S., Smith, Gerald F., Liebeschuetz, John W., Murray, Christopher W., Young, Stephen C.
Published in Bioorganic & medicinal chemistry letters (15.12.2007)
Published in Bioorganic & medicinal chemistry letters (15.12.2007)
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Journal Article
A four component coupling strategy for the synthesis of d-phenylglycinamide-derived non-covalent factor Xa inhibitors
Sheehan, Scott M., Masters, John J., Wiley, Michael R., Young, Stephen C., Liebeschuetz, John W., Jones, Stuart D., Murray, Christopher W., Franciskovich, Jeffrey B., Engel, David B., Weber, Wayne W., Marimuthu, Jothirajah, Kyle, Jeffrey A., Smallwood, Jeffrey K., Farmen, Mark W., Smith, Gerald F.
Published in Bioorganic & medicinal chemistry letters (21.07.2003)
Published in Bioorganic & medicinal chemistry letters (21.07.2003)
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Journal Article
The Hydrogen Bond Environments of 1 H -Tetrazole and Tetrazolate Rings: The Structural Basis for Tetrazole–Carboxylic Acid Bioisosterism
Allen, Frank H., Groom, Colin R., Liebeschuetz, John W., Bardwell, David A., Olsson, Tjelvar S.G., Wood, Peter A.
Published in Journal of chemical information and modeling (26.03.2012)
Published in Journal of chemical information and modeling (26.03.2012)
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Journal Article
The design of phenylglycine containing benzamidine carboxamides as potent and selective inhibitors of factor Xa
Jones, Stuart D, Liebeschuetz, John W, Morgan, Phillip J, Murray, Christopher W, Rimmer, Andrew D, Roscoe, Jonathan M.E, Waszkowycz, Bohdan, Welsh, Pauline M, Wylie, William A, Young, Stephen C, Martin, Harry, Mahler, Jacqui, Brady, Leo, Wilkinson, Kay
Published in Bioorganic & medicinal chemistry letters (12.03.2001)
Published in Bioorganic & medicinal chemistry letters (12.03.2001)
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Journal Article
New active leads for tuberculosis booster drugs by structure-based drug discoveryElectronic supplementary information (ESI) available: Computational and experimental detail, list of compounds, crystallographic data. See DOI: 10.1039/c7ob00910k
Tatum, Natalie J, Liebeschuetz, John W, Cole, Jason C, Frita, Rosangela, Herledan, Adrien, Baulard, Alain R, Willand, Nicolas, Pohl, Ehmke
Year of Publication 13.12.2017
Year of Publication 13.12.2017
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Journal Article
Mining the Cambridge Structural Database for Bioisosteres
Groom, Colin R, Olsson, Tjelvar S. G, Liebeschuetz, John W, Bardwell, David A, Bruno, Ian J, Allen, Frank H
Published in Bioisosteres in Medicinal Chemistry (22.08.2012)
Published in Bioisosteres in Medicinal Chemistry (22.08.2012)
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Book Chapter
Rationally Designed Guanidine and Amidine Fungicides
Liebeschuetz, J W, Katz, R B, Duriatti, A D, Arnold, M L
Published in Pesticide Science (01.07.1997)
Published in Pesticide Science (01.07.1997)
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Journal Article