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Journal of the American Chemical Society|January 15, 2004
Ab initio interaction energies of hydrogen-bonded amino acid side chain[bond]nucleic acid base interactionsAlan C Cheng, Alan D FrankelJournal of Medicinal Chemistry|April 14, 2006
Optimal charges in lead progression: a structure-based neuraminidase case studyKathryn A Armstrong, Bruce Tidor, Alan C ChengJournal of Cheminformatics|May 22, 2024
MolPROP: Molecular Property prediction with multimodal language and graph fusionZachary A Rollins, Alan C Cheng, Essam MetwallyPlos Computational Biology|August 1, 2014
Structure-based druggability assessment of the mammalian structural proteome with inclusion of light protein flexibilityKathryn A Loving, Andy Lin, Alan C ChengJournal of Molecular Biology|March 26, 2003
Structural diversity and isomorphism of hydrogen-bonded base interactions in nucleic acidsBernhard J Walberer, Alan C Cheng, Alan D FrankelJournal of Chemical Information and Modeling|November 28, 2006
Structure-based identification of small molecule binding sites using a free energy modelRyan G Coleman, Anna C Salzberg, Alan C ChengJournal of Chemical Information and Modeling|December 26, 2023
Chemprop: A Machine Learning Package for Chemical Property PredictionEsther Heid, Kevin P Greenman, Yunsie Chung, et al.Journal of Chemical Information and Modeling|June 27, 2022
Exploring Deep Learning of Quantum Chemical Properties for Absorption, Distribution, Metabolism, and Excretion PredictionsMegan A Lim, Song Yang, Huanghao Mai, et al.Journal of Medicinal Chemistry|May 13, 2010
Analysis of kinase inhibitor selectivity using a thermodynamics-based partition indexAlan C Cheng, John Eksterowicz, Stephanie Geuns-Meyer, et al.Biophysical Journal|June 9, 2024
AbMelt: Learning antibody thermostability from molecular dynamicsZachary A Rollins, Talal Widatalla, Alan C Cheng, et al.Pageof 7