KNIME-based Analysis of Off-Target Effect of Drugs Related to The Molecular 2D Fingerprint von Karimah, Nihayatul, Schaftenaar, Gijs

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Triazole fungicides can induce cross-resistance to medical triazoles in Aspergillus fumigatus von Snelders, Eveline, Camps, Simone M T, Karawajczyk, Anna, Schaftenaar, Gijs, Kema, Gert H J, van der Lee, Henrich A, Klaassen, Corné H, Melchers, Willem J G, Verweij, Paul E

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Azole Resistance Profile of Amino Acid Changes in Aspergillus fumigatus CYP51A Based on Protein Homology Modeling von SNELDERS, Eveline, KARAWAJCZYK, Anna, SCHAFTENAAR, Gijs, VERWEIJ, Paul E, MELCHERS, Willem J. G

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Structural basis for non-genuine phenolic acceptor substrate specificity of Streptomyces roseochromogenes prenyltransferase CloQ from the ABBA/PT-barrel superfamily von Araya-Cloutier, Carla, Martens, Bianca, Schaftenaar, Gijs, Leipoldt, Franziska, Gruppen, Harry, Vincken, Jean-Paul

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The structure–function relationship of the Aspergillus fumigatus cyp51A L98H conversion by site-directed mutagenesis: The mechanism of L98H azole resistance von Snelders, Eveline, Karawajczyk, Anna, Verhoeven, Rob J.A., Venselaar, Hanka, Schaftenaar, Gijs, Verweij, Paul E., Melchers, Willem J.G.

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Molden 2.0: quantum chemistry meets proteins von Schaftenaar, Gijs, Vlieg, Elias, Vriend, Gert

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Phenylalanine 368 of multidrug resistance-associated protein 4 (MRP4/ABCC4) plays a crucial role in substrate-specific transport activity von Wittgen, Hanneke G.M., van den Heuvel, Jeroen J.M.W., Krieger, Elmar, Schaftenaar, Gijs, Russel, Frans G.M., Koenderink, Jan B.

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Molecular modeling, mutational analysis and steroid specificity of the ligand binding pocket of mPRα (PAQR7): Shared ligand binding with AdipoR1 and its structural basis von Kelder, Jan, Pang, Yefei, Dong, Jing, Schaftenaar, Gijs, Thomas, Peter

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Reconstruction of the Complete Ouabain-binding Pocket of Na,K-ATPase in Gastric H,K-ATPase by Substitution of Only Seven Amino Acids von Qiu, Li Yan, Krieger, Elmar, Schaftenaar, Gijs, Swarts, Herman G.P., Willems, Peter H.G.M., De Pont, Jan Joep H.H.M., Koenderink, Jan B.

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Quantum mechanical polar surface area von Schaftenaar, Gijs, de Vlieg, Jakob

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The non-gastric H,K-ATPase as a tool to study the ouabain-binding site in Na,K-ATPase von De Pont, Jan Joep H. H. M., Swarts, Herman G. P., Karawajczyk, Anna, Schaftenaar, Gijs, Willems, Peter H. G. M., Koenderink, Jan B.

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QSAR-based molecular signatures of prenylated (iso)flavonoids underlying antimicrobial potency against and membrane-disruption in Gram positive and Gram negative bacteria von Araya-Cloutier, Carla, Vincken, Jean-Paul, van de Schans, Milou G. M., Hageman, Jos, Schaftenaar, Gijs, den Besten, Heidy M. W., Gruppen, Harry

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Visually impaired researchers get their hands on quantum chemistry: application to a computational study on the isomerization of a sterol von Lounnas, Valère, Wedler, Henry B., Newman, Timothy, Schaftenaar, Gijs, Harrison, Jason G., Nepomuceno, Gabriella, Pemberton, Ryan, Tantillo, Dean J., Vriend, Gert

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Enzyme-Specific Activation versus Leaving Group Ability von de Beer, Roseri J. A. C., Bögels, Berry, Schaftenaar, Gijs, Zarzycka, Barbara, Quaedflieg, Peter J. L. M., van Delft, Floris L., Nabuurs, Sander B., Rutjes, Floris P. J. T.

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The structure–function relationship of the Aspergillus fumigatuscyp51A L98H conversion by site-directed mutagenesis: The mechanism of L98H azole resistance von Snelders, Eveline, Karawajczyk, Anna, Verhoeven, Rob J.A., Venselaar, Hanka, Schaftenaar, Gijs, Verweij, Paul E., Melchers, Willem J.G.

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A rational design to create hybrid β-sheet breaker peptides to inhibit aggregation and toxicity of amyloid-β von Bruinsma, Ilona B., Karawajczyk, Anna, Schaftenaar, Gijs, de Waal, Robert M. W., Verbeek, Marcel M., van Delft, Floris L.

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A rational design to create hybrid β-sheet breaker peptides to inhibit aggregation and toxicity of amyloid-βElectronic supplementary information (ESI) available. See DOI: 10.1039/c... von Bruinsma, Ilona B, Karawajczyk, Anna, Schaftenaar, Gijs, de Waal, Robert M. W, Verbeek, Marcel M, van Delft, Floris L

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QCRNA 1.0: A database of quantum calculations for RNA catalysis von Giese, Timothy J., Gregersen, Brent A., Liu, Yun, Nam, Kwangho, Mayaan, Evelyn, Moser, Adam, Range, Kevin, Faza, Olalla Nieto, Lopez, Carlos Silva, Lera, Angel Rodriguez de, Schaftenaar, Gijs, Lopez, Xabier, Lee, Tai-Sung, Karypis, George, York, Darrin M.

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Structural basis for non-genuine phenolic acceptor substrate specificity of Streptomyces roseochromogenes prenyltransferase CloQ from the ABBA/PT-barrel superfamily von Araya-Cloutier, Carla, Martens, Bianca, Schaftenaar, Gijs, Leipoldt, Franziska, Gruppen, Harry, Vincken, Jean-Paul

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A Tcl-based SRS v. 4 Interface von Schaftenaar, Gijs, Cuelenaere, Koen, Noordik, Jan H., Etzold, Thure

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