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Academic Press

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Interconversion of ATP Binding and Conformational Free Energies by Tryptophanyl-tRNA Synthetase: Structures of ATP Bound to Open and Closed, Pre-Transition-state Conformations

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Academic Press

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Insights into the specific binding site of adenosine to the Stx2, the protein toxin from Escherichia coli O157:H7 using molecular dynamics simulations and free energy calculations

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Molecular Simulation, Vol. 39, Iss. 3, 2013-03 ,pp. : 199-205

Taylor & Francis Ltd

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Molecular dynamics simulations and free energy calculations of netropsin and distamycin binding to an AAAAA DNA binding site

By Dolenc Jožica   Oostenbrink Chris   Koller Jože   van Gunsteren Wilfred F.  

Nucleic Acids Research, Vol. 33, Iss. 2, 2005-01 ,pp. : 725-733

Oxford University Press

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Molecular dynamics (MD) simulations and binding free energy calculation studies between inhibitors and type II dehydroquinase (DHQ2)

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Molecular Simulation, Vol. 39, Iss. 2, 2013-02 ,pp. : 137-144

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