Biblio
Found 5 results
Filters: Author is Caflisch, A. and Keyword is Quantum Theory [Clear All Filters]
High-throughput virtual screening using quantum mechanical probes: Discovery of selective kinase inhibitors. ChemMedChem. 5(7):1007-1014.
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2010. On the orientation of the catalytic dyad in aspartic proteases. Proteins. 78(6):1575-1582.
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2010. Quantum mechanical methods for drug design. Current Topics in Medicinal Chemistry. 10(1):33-45.
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2010. CHARMM: The biomolecular simulation program. Journal of Computational Chemistry. 30(10):1545-1614.
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2009. Is quantum mechanics necessary for predicting binding free energy? Journal of Medicinal Chemistry. 51(14):4280-4288.
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2008.