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Journal of Chemical Information and Modeling|July 26, 2023
Evaluation of the Topology Space of DNA-Encoded LibrariesWilliam K Weigel, Alba L Montoya, Raphael M FranziniJournal of Chemical Information and Modeling|November 6, 2019
Evaluating Computational Chemistry Methods for Isotopic Fractionation between CO2(g) and H2O(g)Jason D Boettger, James D KubickiJournal of Chemical Information and Modeling|November 6, 2019
Structural Insights into the Ligand Binding Domain of the Glucocorticoid Receptor: A Molecular Dynamics StudyN R Carina Alves, Adali Pecci, Lautaro D AlvarezJournal of Chemical Information and Modeling|November 7, 2019
Benchmarking Different QM Levels for Usage with COSMO-RSJens Reinisch, Michael Diedenhofen, Rainer Wilcken, et al.Journal of Chemical Information and Modeling|January 26, 2019
Radical Scavenging Activity of Natural-Based Cassaine Diterpenoid Amides and AminesThi Chinh Ngo, Thi Hau Nguyen, Duy Quang DaoJournal of Chemical Information and Modeling|January 30, 2019
Cys.sqlite: A Structured-Information Approach to the Comprehensive Analysis of Cysteine Disulfide Bonds in the Protein DatabankTheodore L Fobe, Andrei Kazakov, Demian RiccardiJournal of Chemical Information and Modeling|February 7, 2019
Accurate Hit Estimation for Iterative Screening Using Venn-ABERS PredictorsRuben Buendia, Thierry Kogej, Ola Engkvist, et al.Journal of Chemical Information and Modeling|November 26, 2019
Multisolvent Similarity Measure of Chinese Herbal Medicine Ingredients for Cold-Hot Nature IdentificationGuohui Wei, Xianjun Fu, Zhenguo WangJournal of Chemical Information and Modeling|February 7, 2020
Tautomer Database: A Comprehensive Resource for Tautomerism AnalysesDevendra K Dhaked, Laura Guasch, Marc C NicklausJournal of Chemical Information and Modeling|February 25, 2020
ProtoCaller: Robust Automation of Binding Free Energy CalculationsMiroslav Suruzhon, Tharindu Senapathi, Michael S Bodnarchuk, et al.Pageof 909