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Protein Science — Electronic Supplementary Material

Stefano Piana, Paolo Carloni, and Ursula Rothlisberger
Drug resistance in HIV-1 protease: Flexibility-assisted mechanism of compensatory mutations
Protein Science, October 2002, Volume 11, Number 10, pp. 2393-2402

Supplemental Research Data

Adobe Acrobat Portable Document Format (PDF) file (673 KB; 8 pages containing 3 tables and 4 figures) Get Acrobat Reader
Tables 1SI – 3SI: MD-averaged values and standard deviations of selected distances in the loop residues; of selected dihedral angles in the flap region; and of da calculated from different parts of the MD trajectory.
Figures 1SI – 4SI: rms deviations of the backbone heavy atoms with respect to the starting structure versus simulated time; average MD structures; average errors of the residue rms deviation versus simulation length; NMR order parameter S2 versus time.
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