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Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE
Journal of Chemical Information and Modeling
2026-05-21
In Silico ApoE Isoform Interactions with Methylmercury (MeHg) and In Vivo MeHg Intoxication Effects on Epididymal White Fat Tissue and Liver Function
Chemical Research in Toxicology
2026-05-08
Cell-Free Synthesis of Cannabistilbene I: A Dual Acting Anti-Inflammatory from Cannabis sativa
Journal of Natural Products
2026-05-18
Optimization and Characterization of SHIP1 Ligands for Cellular Target Engagement and Activity in Alzheimer’s Disease Models
Journal of Medicinal Chemistry
2026-05-06
BisCEET: A Visual Browser for Biosynthetic Gene Clusters Aiding in the Identification of Natural Product Variants and Distinct Tailoring Enzymes
Journal of Natural Products
2026-05-07
Structural Characterization of the Interaction of γ-Secretase with GSM-1 Modulator
ACS Chemical Neuroscience
2026-05-05
Mutation-Driven Remodeling of the LRRK2 Kinase Free-Energy Landscape and Its Consequences for Conformational Transitions and Inhibitor Binding Affinit
Journal of Chemical Information and Modeling
2026-05-16
Biomaterials and Nanoparticle-Based Therapeutics in Neurodegenerative Diseases: Bridging the Gap Between Innovation and Translation
ACS Chemical Neuroscience
2026-05-11
Identification of non-hydroxamate histone deacetylase 8 inhibitors using deep learning-based screening of two-dimensional molecular images
Bioorganic & Medicinal Chemistry
2026-05-09
Data Management and Analysis of Metal–Organic Framework Synthesis Using Data Models
Journal of Chemical Information and Modeling
2026-05-10
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