Computing free energies of protein-ligand association
Abstract Spontaneous changes in protein systems, such as the binding of a ligand to an enzyme or receptor, are characterized by a decrease of free energy. Despite the recent developments in computing power and methodology, it remains challenging to accurately estimate free energy changes. Major iss...
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| Format: | Doctoral Thesis |
| Language: | English |
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University of Oulu
2007
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| Online Access: | http://urn.fi/urn:isbn:9789514285745 http://nbn-resolving.de/urn:isbn:9789514285745 |