| 3 Publications | |
| Section Intro | Molecular modeling | Bioinformatics | docking | Methods and algorithms | Applications | Chronological list |
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The energetics of cavity formation in proteins is evaluated with two different approaches and results are analyzed and compared to experimental data. In the first approach, free energy of cavity formation is extracted by RMS fitting from the distribution of numbers of cavities, N, with different volumes, Vcav, in 90 high-resolution protein structures (... truncated).