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Advances in modeling of protein folding.
Finally, the impact of these findings on the modeling of protein folding is discussed.
Studies of intermolecular energy landscapes are important for understanding protein association and adequate modeling of protein interactions.
Modeling of protein complex structures by RosettaDock often results in a set of low-energy conformations near the native structure.
The thermodynamic modeling of protein adsorption on mixed-mode adsorbents functionalized with ligands carrying both hydrophobic and electrostatic groups was undertaken.
The automatic assignment of secondary structure from three-dimensional atomic coordinates of proteins is an essential step for the analysis and modeling of protein structures.
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Pons, J. L. & Labesse, G. @TOME-2: A new pipeline for comparative modeling of protein-ligand complexes.
(II, VII) Modeling of protein-protein interactions, focusing on electrostatic effects and structure-based drug design.
Chiu TP, Rao S, Mann RS, Honig B, Rohs R. Genome-wide prediction of minor-groove electrostatic potential enables biophysical modeling of protein-DNA binding.
Reduced computer modeling of proteins now has a history of about 30 years.
Presentation in the "Statistical Assessment of the Modeling of Proteins and Ligands" (SAMPL) portion of OpenEye's yearly conference in Santa Fe, NM.
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