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Quantum-mechanical
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RNDr. Jiří Hostaš Ph.D.
External person at Faculty of Science
3 publications
Publications
publication
A Nexus between Theory and Experiment: Non-Empirical Quantum Mechanical Computational Methodology Applied to Cucurbit[n]urilGuest Binding Interactions
2016 |
Faculty of Science
publication
Representative Amino Acid Side-Chain Interactions in Protein-DNA Complexes: A Comparison of Highly Accurate Correlated Ab Initio Quantum Mechanical Calculations and Efficient Approaches for Applications to Large Systems
2015 |
Faculty of Science
publication
Selective binding of choline by a phosphate-coordination-based triple helicate featuring an aromatic box
2017 |
Faculty of Science
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