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

Author: Niu Xiaodi   Wang Xin   Wang Hongsu   Gao Xiaohan   Wang Yanan   Wang Song  

Publisher: Taylor & Francis Ltd

ISSN: 0892-7022

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

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