Search for dissertations about: "MM GBSA"
Found 2 swedish dissertations containing the words MM GBSA.
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1. Assessment of Computational Methods for Ligand Binding
Abstract : Most drugs act on biomacromolecules. The Cost of developing new drugs is very high. A method to accurately predict binding affinities would be very useful. READ MORE
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2. On the estimation of ligand binding affinities
Abstract : A method to accurately estimate the binding affinity of a small molecule to a receptor would be indispensable in numerous fields. For instance, most drugs exert their action by binding to a macromolecule target. Thus, a lot of time and resources could be saved in drug design by predicting affinities by computer programs. READ MORE
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