Inhibition of collagen-induced discoidin domain receptor 1 and 2 activation by imatinib, nilotinib and dasatinib
Day, Elizabeth, Waters, Beatrice, Spiegel, Katrin, Alnadaf, Tanja, Manley, Paul W., Buchdunger, Elisabeth, Walker, Christoph, Jarai, Gabor
Published in European journal of pharmacology (03.12.2008)
Published in European journal of pharmacology (03.12.2008)
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Journal Article
Binding of Novel Azole-Bridged Dinuclear Platinum(II) Anticancer Drugs to DNA: Insights from Hybrid QM/MM Molecular Dynamics Simulations
Magistrato, Alessandra, Ruggerone, Paolo, Spiegel, Katrin, Carloni, Paolo, Reedijk, Jan
Published in The journal of physical chemistry. B (02.03.2006)
Published in The journal of physical chemistry. B (02.03.2006)
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Journal Article
Azole-Bridged Diplatinum Anticancer Compounds. Modulating DNA Flexibility to Escape Repair Mechanism and Avoid Cross Resistance
Spiegel, Katrin, Magistrato, Alessandra, Carloni, Paolo, Reedijk, Jan, Klein, Michael L.
Published in The journal of physical chemistry. B (18.10.2007)
Published in The journal of physical chemistry. B (18.10.2007)
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Journal Article
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure
Spiegel, Katrin, Magistrato, Alessandra, Maurer, Patrick, Ruggerone, Paolo, Rothlisberger, Ursula, Carloni, Paolo, Reedijk, Jan, Klein, Michael L
Published in Journal of computational chemistry (15.01.2008)
Published in Journal of computational chemistry (15.01.2008)
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Journal Article
Solution NMR Structure of a Designed Metalloprotein and Complementary Molecular Dynamics Refinement
Calhoun, Jennifer R., Liu, Weixia, Spiegel, Katrin, Dal Peraro, Matteo, Klein, Michael L., Valentine, Kathleen G., Wand, A. Joshua, DeGrado, William F.
Published in Structure (London) (01.02.2008)
Published in Structure (London) (01.02.2008)
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Journal Article
Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions
Maria Carola Colombo, Martin Zumstein, Joost VandeVondele, Marialore Sulpizi, Katrin Spiegel, Ute Röhrig, Stefano Piana, Patrick Maurer, Alessandra Magistrato, Alessandro Laio, Leonardo Guidoni, Ursula Röthlisberger
Published in Chimia (01.01.2002)
Published in Chimia (01.01.2002)
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Journal Article
Cisplatin Binding to DNA Oligomers from Hybrid Car-Parrinello/Molecular Dynamics Simulations
Spiegel, Katrin, Rothlisberger, Ursula, Carloni, Paolo
Published in The journal of physical chemistry. B (26.02.2004)
Published in The journal of physical chemistry. B (26.02.2004)
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Journal Article
FOCUS Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists
Stiefl, Nikolaus, Gedeck, Peter, Chin, Donovan, Hunt, Peter, Lindvall, Mika, Spiegel, Katrin, Springer, Clayton, Biller, Scott, Buenemann, Christoph, Kanazawa, Takanori, Kato, Mitsunori, Lewis, Richard, Martin, Eric, Polyakov, Valery, Tommasi, Ruben, van Drie, John, Vash, Brian, Whitehead, Lewis, Xu, Yongjin, Abagyan, Ruben, Raush, Eugene, Totrov, Max
Published in Journal of chemical information and modeling (27.04.2015)
Published in Journal of chemical information and modeling (27.04.2015)
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Journal Article
Duocarmycins Binding to DNA Investigated by Molecular Simulation
Spiegel, Katrin, Rothlisberger, Ursula, Carloni, Paolo
Published in The journal of physical chemistry. B (02.03.2006)
Published in The journal of physical chemistry. B (02.03.2006)
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Journal Article
Structural and dynamical properties of manganese catalase and the synthetic protein DF1 and their implication for reactivity from classical molecular dynamics calculations
Spiegel, Katrin, De Grado, William F., Klein, Michael L.
Published in Proteins, structure, function, and bioinformatics (01.11.2006)
Published in Proteins, structure, function, and bioinformatics (01.11.2006)
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Journal Article
Azole-Bridged Diplatinum Anticancer Compounds. Modulating DNA Flexibility to Escape Repair Mechanism and Avoid Cross Resistance
Spiegel, Katrin, Magistrato, Alessandra, Carloni, Paolo, Reedijk, Jan, Klein, Michael L
Published in The journal of physical chemistry. B (01.01.2007)
Published in The journal of physical chemistry. B (01.01.2007)
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Journal Article
Inhibition of collagen-induced discoidin domain receptor 1 and 2 activation by imatinibj, nilotinib and dasatinib
DAY, Elizabeth, WATERS, Beatrice, SPIEGEL, Katrin, ALNADAF, Tanja, MANLEY, Paul W, BUCHDUNGER, Elisabeth, WALKER, Christoph, JARAI, Gabor
Published in European journal of pharmacology (2008)
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Published in European journal of pharmacology (2008)
Journal Article
PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF
BAETTIG URS, EDWARDS LEE, LEGRAND DARREN MARK, BUDD EMMA, SPIEGEL KATRIN, HUGHES GLYN, BALA KAMLESH JAGDIS, HOWSHAM CATHERINE
Year of Publication 25.01.2013
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Year of Publication 25.01.2013
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