8 results on '"Rejto, Paul A."'
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2. Monte Carlo simulations of HIV-1 protease binding dynamics and thermodynamics with ensembles of protein conformations: Incorporating protein flexibility in deciphering mechanisms of molecular recognition
3. Easy Does It: Reducing Complexity in Ligand-Protein Docking
4. Reduced Dimensionality in Ligand—Protein Structure Prediction: Covalent Inhibitors of Serine Proteases and Design of Site-Directed Combinatorial Libraries
5. Fully automated and rapid flexible docking of inhibitors covalently bound to serine proteases
6. New trends in computational structure prediction of ligand-protein complexes for receptor-based drug design
7. Structure-Based and Property-Compliant Library Design of 11β-HSD1 Adamantyl Amide Inhibitors.
8. Docking Conformationally Flexible Small Molecules into a Protein Binding Site Through Evolutionary Programming.
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