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Journal of Chemical Information and Modeling|February 4, 2020
Current Trends, Overlooked Issues, and Unmet Challenges in Virtual ScreeningDagmar Stumpfe, Jürgen BajorathJournal of Chemical Information and Modeling|February 6, 2020
DeeplyTough: Learning Structural Comparison of Protein Binding SitesMartin Simonovsky, Joshua MeyersJournal of Chemical Information and Modeling|February 29, 2020
Combinatorial Effect of Ligand and Ligand-Binding Site Hydrophobicities on Binding AffinityDinesh Kumar Sriramulu, Sun-Gu LeeJournal of Chemical Information and Modeling|December 18, 2019
Refolding Dynamics of gp41 from Pre-fusion to Pre-hairpin States during HIV-1 EntryMengna Lin, Lin-Tai DaJournal of Chemical Information and Modeling|December 19, 2019
Identification of Zika Virus NS2B-NS3 Protease Inhibitors by Structure-Based Virtual Screening and Drug Repurposing ApproachesFelipe R S Santos, Damiana A F Nunes, William G Lima, et al.Journal of Chemical Information and Modeling|November 13, 2019
Self-Assembly of Phosphocholine Derivatives Using the ELBA Coarse-Grained Model: Micelles, Bicelles, and Reverse MicellesR M de Souza, R H Ratochinski, Mikko Karttunen, et al.Journal of Chemical Information and Modeling|November 13, 2019
ImageDataExtractor: A Tool To Extract and Quantify Data from Microscopy ImagesKarim T Mukaddem, Edward J Beard, Batuhan Yildirim, et al.Journal of Chemical Information and Modeling|November 19, 2020
OPUS-Rota3: Improving Protein Side-Chain Modeling by Deep Neural Networks and Ensemble MethodsGang Xu, Qinghua Wang, Jianpeng MaJournal of Chemical Information and Modeling|November 16, 2020
Shape-Based Descriptors for Efficient Structure-Based Fragment GrowingPatrick Penner, Virginie Martiny, Arnaud Gohier, et al.Journal of Chemical Information and Modeling|October 23, 2020
Benchmark on Indexing Algorithms for Accelerating Molecular Similarity SearchChun Jiang Zhu, Minghu Song, Qinqing Liu, et al.Pageof 909