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
Maintaining fixation does not increase demands on working memory relative to free viewing
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DOI: 10.7717/peerj.6839
Abstract: The comparison of memory performance during free and fixed viewing conditions has been used to demonstrate the involvement of eye movements in memory encoding and retrieval, with stronger effects at encoding than retrieval. Relative to… read more here.
Keywords: fixation; free viewing; working memory; performance ... See more keywords