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Journal of Chemical Information and Modeling|December 19, 2024
Multi-Peptide: Multimodality Leveraged Language-Graph Learning of Peptide PropertiesSrivathsan Badrinarayanan, Chakradhar Guntuboina, Parisa Mollaei, et al.Journal of Chemical Information and Modeling|December 18, 2024
Residue-Level Multiview Deep Learning for ATP Binding Site Prediction and Applications in Kinase InhibitorsJaechan Lee, Dongmin Bang, Sun KimJournal of Chemical Information and Modeling|December 17, 2024
Hither-CMI: Prediction of circRNA-miRNA Interactions Based on a Hybrid Multimodal Network and Higher-Order Neighborhood Information via a Graph Convolutional NetworkChen Jiang, Lei Wang, Chang-Qing Yu, et al.Journal of Chemical Information and Modeling|November 15, 2024
Combining a Chemical Language Model and the Structure-Activity Relationship Matrix Formalism for Generative Design of Potent Compounds with Core Structure and Substituent ModificationsHengwei Chen, Jürgen BajorathJournal of Chemical Information and Modeling|November 19, 2024
Widespread Misinterpretation of pKa Terminology for Zwitterionic Compounds and Its ConsequencesJonathan W Zheng, Ivo Leito, William H GreenJournal of Chemical Information and Modeling|November 19, 2024
Benchmarking Cross-Docking Strategies in Kinase Drug DiscoveryDavid A Schaller, Clara D Christ, John D Chodera, et al.Journal of Chemical Information and Modeling|November 18, 2024
RankMHC: Learning to Rank Class-I Peptide-MHC Structural ModelsRomanos Fasoulis, Georgios Paliouras, Lydia E KavrakiJournal of Chemical Information and Modeling|November 18, 2024
MD-LAIs Software: Computing Whole-Sequence and Amino Acid-Level "Embeddings" for Peptides and ProteinsErnesto Contreras-Torres, Yovani Marrero-PonceJournal of Chemical Information and Modeling|November 22, 2024
Pairing a Global Optimization Algorithm with EXAFS to Characterize Lanthanide Structure in SolutionThomas J Summers, Difan Zhang, Josiane A Sobrinho, et al.Journal of Chemical Information and Modeling|November 20, 2024
CPIScore: A Deep Learning Approach for Rapid Scoring and Interpretation of Protein-Ligand Binding InteractionsLi Liang, Yunxin Duan, Chen Zeng, et al.Pageof 909