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Ensemble-Based Steered Molecular Dynamics Predicts Relative Residence Time of A2A Receptor Binders
Potterton, Andrew, Husseini, Fouad S., Southey, Michelle WY, Bodkin, Michael J., Heifetz, Alexander, Coveney, Peter Vivian, Townsend-Nicholson, AndreaLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b01270
Date:
March, 2019
File:
PDF, 1.11 MB
english, 2019