Estimation of relative free energies of binding using pre‐computed ensembles based on the single‐step free energy perturbation and the site‐identification by Ligand competitive saturation approaches
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DOI: 10.1002/jcc.24522
Abstract: Accurate and rapid estimation of relative binding affinities of ligand‐protein complexes is a requirement of computational methods for their effective use in rational ligand design. Of the approaches commonly used, free energy perturbation (FEP) methods… read more here.
Keywords: energy; estimation relative; energy perturbation; relative free ... See more keywords
Rapid estimation of 2D relative B1+ ‐maps from localizers in the human heart at 7T using deep learning
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DOI: 10.1002/mrm.29510
Abstract: Subject‐tailored parallel transmission pulses for ultra‐high fields body applications are typically calculated based on subject‐specific B1+$$ {\mathrm{B}}_1^{+} $$ ‐maps of all transmit channels, which require lengthy adjustment times. This study investigates the feasibility of using… read more here.
Keywords: estimation relative; relative maps; rapid estimation; deep learning ... See more keywords
Estimation of relative risk for events on a linear network
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DOI: 10.1007/s11222-019-09889-7
Abstract: Motivated by the study of traffic accidents on a road network, we discuss the estimation of the relative risk, the ratio of rates of occurrence of different types of events occurring on a network of… read more here.
Keywords: estimation relative; linear network; relative risk; network ... See more keywords