Next-generation Janus kinase inhibitors: Integrating synthetic innovation, structural biology, and computational design for precision drug discovery. [PDF]
Karunakar KK +4 more
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An integrated biophysical fragment screening approach identifies novel binders of the CD28 immune receptor. [PDF]
Calvo-Barreiro L, Nada H, Gabr MT.
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Chemotypes of Vibrio parahaemolyticus lipopolysaccharides [PDF]
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Integrative Computational Chemistry Approaches in Modern Drug Discovery: Advances in Docking, Pharmacophore Modeling, Molecular Dynamics, and Virtual Screening. [PDF]
Altharawi A, Alqahtani SM.
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Long-term neighbor identity influences effectiveness of sagebrush responses to damage-induced volatiles of those neighbors. [PDF]
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Hierarchical Chemotaxonomic Differentiation in Cannabis Chemovars Using Quantitative HPLC Cannabinoid Profiling and Multivariate Chemometrics. [PDF]
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ChemScreener: an active learning enabled hit discovery workflow with WDR5 inhibitor case study. [PDF]
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Integration of transcriptomics and metabolomics provides insights into secondary cell wall deposition and terpenoid biosynthesis during stem development in Camphora officinarum. [PDF]
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Machine learning prediction of multiple distinct high-affinity chemotypes for α-synuclein fibrils. [PDF]
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