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Journal of Chemical Information and Modeling|October 1, 2025
In Silico Structural Modeling of the HuR-mRNA Complex: Insights into Structural and Functional RegulationDavide Pietrafesa, Alice Romeo, Fabio Giovanni Tucci, et al.Journal of Chemical Information and Modeling|December 16, 2020
Disconnected Maximum Common Substructures under ConstraintsRobert Schmidt, Florian Krull, Anna Lina Heinzke, et al.Journal of Chemical Information and Modeling|December 16, 2020
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19A Acharya, R Agarwal, M B Baker, et al.Journal of Chemical Information and Modeling|December 18, 2020
Chemography: Searching for Hidden TreasuresYuliana Zabolotna, Arkadii Lin, Dragos Horvath, et al.Journal of Chemical Information and Modeling|December 18, 2020
Ligand-Binding-Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo StructuresHugo Guterres, Sang-Jun Park, Wei Jiang, et al.Journal of Chemical Information and Modeling|December 28, 2020
Exploring the pH-Dependent Structure-Dynamics-Function Relationship of Human ReninShuhua Ma, Jack A Henderson, Jana ShenJournal of Chemical Information and Modeling|December 21, 2020
Explainable Deep Relational Networks for Predicting Compound-Protein Affinities and ContactsMostafa Karimi, Di Wu, Zhangyang Wang, et al.Journal of Chemical Information and Modeling|December 18, 2020
BioMetAll: Identifying Metal-Binding Sites in Proteins from Backbone PreorganizationJosé-Emilio Sánchez-Aparicio, Laura Tiessler-Sala, Lorea Velasco-Carneros, et al.Journal of Chemical Information and Modeling|December 30, 2020
(+/-)-Borneol Reverses Mitoxantrone Resistance against P-GlycoproteinRong Yang, Zhenxing Chen, Fuda Xie, et al.Journal of Chemical Information and Modeling|December 22, 2020
Machine Learning Classification of One-Chiral-Center Organic Molecules According to Optical RotationRafael Mamede, Bruno Simões de-Almeida, Mengyao Chen, et al.Pageof 909