Andrzej Kolinski, Piotr Klein, Piotr Romiszowski, Jeffrey Skolnick

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Presentation transcript:

Unfolding of Globular Proteins: Monte Carlo Dynamics of a Realistic Reduced Model Andrzej Kolinski, Piotr Klein, Piotr Romiszowski, Jeffrey Skolnick Biophysical Journal Volume 85, Issue 5, Pages 3271-3278 (November 2003) DOI: 10.1016/S0006-3495(03)74745-6 Copyright © 2003 The Biophysical Society Terms and Conditions

Figure 1 Mobility profiles for plastocyanin (2pcy). The upper curve illustrates the results of Monte Carlo simulations near the unfolding temperature (T=1.4). The lowest curve corresponds to equivalent simulations with Go potential (at the same temperature). Profile of the crystallographic temperature factor (middle solid line) is given for comparison. All data are in Å2. Locations of helices (■) and β-strands (xxxxx) are marked. Biophysical Journal 2003 85, 3271-3278DOI: (10.1016/S0006-3495(03)74745-6) Copyright © 2003 The Biophysical Society Terms and Conditions

Figure 2 Mobility profiles for apomyoglobin (1bvc). The upper curve illustrates the results of Monte Carlo simulations near the unfolding temperature (T=1.1). The lowest curve corresponds to equivalent simulations with Go potential (at the same temperature). Profile of crystallographic temperature factor (middle solid line) is given for comparison. All data are in Å2. Locations of helices (■) are marked. Biophysical Journal 2003 85, 3271-3278DOI: (10.1016/S0006-3495(03)74745-6) Copyright © 2003 The Biophysical Society Terms and Conditions

Figure 3 Comparison of mobility profiles for wild-type apomyoglobin (dashed line) and the mutant (solid line). See text for details. Biophysical Journal 2003 85, 3271-3278DOI: (10.1016/S0006-3495(03)74745-6) Copyright © 2003 The Biophysical Society Terms and Conditions

Figure 4 Comparison of mobility profiles for apomyoglobin and leghemoglobin (dashed line) at a temperature slightly higher (T=1.2) than the unfolding temperature (T=1.1). Biophysical Journal 2003 85, 3271-3278DOI: (10.1016/S0006-3495(03)74745-6) Copyright © 2003 The Biophysical Society Terms and Conditions

Figure 5 Mobility profiles for protein G at three temperatures T=0.8, 0.9, and 1.2 (from bottom to top), where T=1.2 is the estimated unfolding temperature. Biophysical Journal 2003 85, 3271-3278DOI: (10.1016/S0006-3495(03)74745-6) Copyright © 2003 The Biophysical Society Terms and Conditions

Figure 6 Mobility profiles for protein L at T=0.8, 0.9, and 1.2 (from bottom to top), where T=1.2 is the estimated unfolding temperature. Biophysical Journal 2003 85, 3271-3278DOI: (10.1016/S0006-3495(03)74745-6) Copyright © 2003 The Biophysical Society Terms and Conditions