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. Author manuscript; available in PMC: 2013 Oct 9.

Published in final edited form as: J Chem Theory Comput. 2012 Apr 17;8(10):3452–3462. doi: 10.1021/ct300076y

Distribution in percent of distances in Å between alpha carbons of the flaps, 80s loop and the active site in WT (blue) and Flap+ (red) HIV-1 protease calculated over all 80 monomers during the 100 ns trajectories. a) 50 – 50′, b) 80 – 50′, c) 25 – 50′, d) 25 – 50, e) 80 – 80′ f) 50–80

Distribution in percent of distances in Å between alpha carbons of the flaps, 80s loop and the active site in WT (blue) and Flap+ (red) HIV-1 protease calculated over all 80 monomers during the 100 ns trajectories. a) 50 – 50′, b) 80 – 50′, c) 25 – 50′, d) 25 – 50, e) 80 – 80′ f) 50–80