12 results on '"Rejto, Paul A."'
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2. Monte Carlo simulations of the peptide recognition at the consensus binding site of the constant fragment of human immunoglobulin G: The energy landscape analysis of a hot spot at the intermolecular interface
3. Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes: Structural analysis of the peptide complexes with SH2 domains
4. Towards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactions
5. Monte Carlo study of ligand-protein binding energy landscapes with the weighted histogram analysis method
6. Computer simulations of ligand-protein binding with ensembles of protein conformations: A Monte Carlo study of HIV-1 protease binding energy landscapes
7. Monte Carlo study of ligand–protein binding energy landscapes with the weighted histogram analysis method
8. Structural consensus in ligand-protein docking identifies recognition peptide motifs that bind streptavidin
9. Mean field analysis of FKBP12 complexes with FK506 and rapamycin: Implications for a role of crystallographic water molecules in molecular recognition and specificity
10. Structural consensus in ligand‐protein docking identifies recognition peptide motifs that bind streptavidin
11. 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
12. 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
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