Rapid, accurate, precise and reproducible binding affinity calculations using ensembles of molecular dynamics simulations
The accurate prediction of the binding affinities of ligands to proteins is a major goal in drug discovery and personalised medicine. The use of in silico methods to predict binding affinities has been largely confined to academic research until recently, primarily due to the lack of their reproduci...
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University College London (University of London)
2018
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| Online Access: | https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.747669 |