Comparison of the Accuracy of Experimental and Predicted pKa Values of Basic and Acidic Compounds von Settimo, Luca, Bellman, Krista, Knegtel, Ronald M. A.

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Discovery of Potent and Selective Inhibitors of Ataxia Telangiectasia Mutated and Rad3 Related (ATR) Protein Kinase as Potential Anticancer Agents von Charrier, Jean-Damien, Durrant, Steven J, Golec, Julian M. C, Kay, David P, Knegtel, Ronald M. A, MacCormick, Somhairle, Mortimore, Michael, O'Donnell, Michael E, Pinder, Joanne L, Reaper, Philip M, Rutherford, Alistair P, Wang, Paul S. H, Young, Stephen C, Pollard, John R

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Discovery of Selective, Orally Bioavailable Pyrazolopyridine Inhibitors of Protein Kinase Cθ (PKCθ) That Ameliorate Symptoms of Experimental Autoimmune Encephalomyelitis von Collier, Philip N, Twin, Heather C, Knegtel, Ronald M. A, Boyall, Dean, Brenchley, Guy, Davis, Christopher J, Keily, Shazia, Mak, Chau, Miller, Andrew, Pierard, Françoise, Settimo, Luca, Bolton, Clare M, Chiu, Peter, Curnock, Adam, Doyle, Elisabeth, Tanner, Adam J, Jimenez, Juan-Miguel

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Discovery and Structure−Activity Relationship of 3-Aminopyrid-2-ones as Potent and Selective Interleukin-2 Inducible T-Cell Kinase (Itk) Inhibitors von Charrier, Jean-Damien, Miller, Andrew, Kay, David P, Brenchley, Guy, Twin, Heather C, Collier, Philip N, Ramaya, Sharn, Keily, Shazia B, Durrant, Steven J, Knegtel, Ronald M. A, Tanner, Adam J, Brown, Kieron, Curnock, Adam P, Jimenez, Juan-Miguel

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Water-Soluble Molecular Capsules: Self-Assembly and Binding Properties von Corbellini, Francesca, Knegtel, Ronald M. A., Grootenhuis, Peter D. J., Crego-Calama, Mercedes, Reinhoudt, David N.

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A Role for Hydration in Interleukin-2 Inducible T Cell Kinase (Itk) Selectivity von Knegtel, Ronald M. A., Robinson, Daniel D.

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Kinetic and mechanistic characterisation of Choline Kinase-α von Hudson, Catherine S., Knegtel, Ronald M., Brown, Kieron, Charlton, Peter A., Pollard, John R.

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Crystal Structure of Aurora-2, an Oncogenic Serine/Threonine Kinase von Cheetham, Graham M T, Knegtel, Ronald M A, Coll, Joyce T, Renwick, Suzanne B, Swenson, Lora, Weber, Peter, Lippke, Judith A, Austen, Douglas A

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The discovery of the potent aurora inhibitor MK-0457 (VX-680) von Bebbington, David, Binch, Hayley, Charrier, Jean-Damien, Everitt, Simon, Fraysse, Damien, Golec, Julian, Kay, David, Knegtel, Ronald, Mak, Chau, Mazzei, Francesca, Miller, Andrew, Mortimore, Michael, O’Donnell, Michael, Patel, Sanjay, Pierard, Francoise, Pinder, Joanne, Pollard, John, Ramaya, Sharn, Robinson, Daniel, Rutherford, Alistair, Studley, John, Westcott, James

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Absolute binding free energy calculations for small molecules binding at the membrane protein-lipid bilayer interface von Cook, Charlie, Chudyk, Ewa, Knegtel, Ronald, Biggin, Philip C.

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Fucosyltransferases: structure/function studies von de Vries, T, Knegtel, R M, Holmes, E H, Macher, B A

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Absolute binding free energy calculations for molecules binding to the GPCR GCGR at the protein/bilayer/water interface von Cook, Charlie, Knegtel, Ronald, Chudyk, Ewa, Biggin, Philip C.

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The Raw Starch Binding Domain of Cyclodextrin Glycosyltransferase from Bacillus circulans Strain 251 von Penninga, Dirk, van der Veen, Bart A., Knegtel, Ronald M.A., van Hijum, Sacha A.F.T., Rozeboom, Henriëtte J., Kalk, Kor H., Dijkstra, Bauke W., Dijkhuizen, Lubbert

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Mutation of amino acids in the alpha 1,3-fucosyltransferase motif affects enzyme activity and Km for donor and acceptor substrates von Jost, Franziska, de Vries, Theodora, Knegtel, Ronald M.A., Macher, Bruce A.

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Rational Design of 5‑(4-(Isopropylsulfonyl)­phenyl)-3-(3-(4-((methylamino)­methyl)­phenyl)­isoxazol-5-yl)­pyrazin-2-amine (VX-970, M6620): Optimization of Intra- and Intermolecular... von Knegtel, Ronald, Charrier, Jean-Damien, Durrant, Steven, Davis, Chris, O’Donnell, Michael, Storck, Pierre, MacCormick, Somhairle, Kay, David, Pinder, Joanne, Virani, Anisa, Twin, Heather, Griffiths, Matthew, Reaper, Philip, Littlewood, Peter, Young, Steve, Golec, Julian, Pollard, John

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Structure of Cyclodextrin Glycosyltransferase Complexed with a Maltononaose Inhibitor at 2.6 Å Resolution. Implications for Product Specificity von Strokopytov, Boris, Knegtel, Ronald M. A., Penninga, Dirk, Rozeboom, Henriëtte J., Kalk, Kor H., Dijkhuizen, Lubbert, Dijkstra, Bauke W.

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A Method To Identify and Screen Libraries of Guests That Complex to a Synthetic Host von de Jong, Menno R., Knegtel, Ronald M. A., Grootenhuis, Peter D. J., Huskens, Jurriaan, Reinhoudt, David N.

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Rational Design of Novel Antimicrobials:  Blocking Purine Salvage in a Parasitic Protozoan von Somoza, John R, Skillman, A. Geoffrey, Munagala, Narsimha R, Oshiro, C. M, Knegtel, Ronald M. A, Mpoke, Solomon, Fletterick, Robert J, Kuntz, Irwin D, Wang, Ching C

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Neighboring cysteine residues in human fucosyltransferase VII are engaged in disulfide bridges, forming small loop structures von de Vries, T, Yen, T Y, Joshi, R K, Storm, J, van Den Eijnden, D H, Knegtel, R M, Bunschoten, H, Joziasse, D H, Macher, B A

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Molecular docking to ensembles of protein structures von Knegtel, R M, Kuntz, I D, Oshiro, C M

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