6 results on '"Rejto, Paul A."'
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2. Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes: Structural analysis of the peptide complexes with SH2 domains.
3. Mean field analysis of FKBP12 complexes with FK506 and rapamycin: Implications for a role of crystallographic water molecules in molecular recognition and specificity.
4. Structural consensus in ligand-protein docking identifies recognition peptide motifs that bind streptavidin.
5. Exploring the energy landscapes of molecular recognition by a genetic algorithm: Analysis of the requirements for robust docking of HIV-1 protease and FKBP-12 complexes.
6. Computational detection of the binding-site hot spot at the remodeled human growth hormone-receptor interface.
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