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Journal of Computer-Aided Molecular Design|December 6, 2013
Simultaneous prediction of binding free energy and specificity for PDZ domain-peptide interactionsJoseph J Crivelli, Gordon Lemmon, Kristian W Kaufmann, et al.Journal of Chemical Information and Modeling|February 10, 2025
Long-Range Electrostatics in Serine Proteases: Machine Learning-Driven Reaction Sampling Yields Insights for Enzyme DesignAlexander Zlobin, Valentina Maslova, Julia Beliaeva, et al.Frontiers in Cell and Developmental Biology|March 18, 2024
Sequence and structural insights of monoleucine-based sorting motifs contained within the cytoplasmic domains of basolateral proteinsSarah J Harmych, Claiborne W Tydings, Jens Meiler, et al.Journal of Structural Biology|October 30, 2010
RosettaEPR: an integrated tool for protein structure determination from sparse EPR dataStephanie J Hirst, Nathan Alexander, Hassane S McHaourab, et al.Plos One|July 12, 2013
Assessment and challenges of ligand docking into comparative models of G-protein coupled receptorsElizabeth Dong Nguyen, Christoffer Norn, Thomas M Frimurer, et al.Gene|July 8, 2008
BCL::Align-sequence alignment and fold recognition with a custom scoring function onlineElizabeth Dong, Jarrod Smith, Sten Heinze, et al.Elife|March 3, 2022
Sampling alternative conformational states of transporters and receptors with AlphaFold2Diego Del Alamo, Davide Sala, Hassane S Mchaourab, et al.Biorxiv : the Preprint Server for Biology|August 23, 2023
Approximating conformational Boltzmann distributions with AlphaFold2 predictionsBenjamin P Brown, Richard A Stein, Jens Meiler, et al.Current Opinion in Structural Biology|October 25, 2024
Non-canonical amino acids for site-directed spin labeling of membrane proteinsKaitlyn Ledwitch, Georg Künze, Elleansar Okwei, et al.Journal of Chemical Information and Modeling|January 26, 2021
General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore MapsBenjamin P Brown, Jeffrey Mendenhall, Alexander R Geanes, et al.Pageof 44