In Silico Modeling and Scoring of PROTAC-Mediated Ternary Complex Poses | Journal of Medicinal Chemistry
Role of Structural Dynamics in Selectivity and Mechanism of Non-heme Fe(II) and 2-Oxoglutarate-Dependent Oxygenases Involved in DNA Repair | ACS Central Science
Applied Sciences | Free Full-Text | Using Artificial Intelligence for Space Challenges: A Survey
Mechanistic Insights into Substrate Positioning That Distinguish Non-heme Fe(II)/α-Ketoglutarate-Dependent Halogenases and Hydroxylases | ACS Catalysis
High-Flux Thin Film Composite PIM-1 Membranes for Butanol Recovery: Experimental Study and Process Simulations | ACS Applied Materials & Interfaces
Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers | ACS Catalysis
Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates | Journal of Chemical Information and Modeling
Catalysis and Electron Transfer in De Novo Designed Metalloproteins | Chemical Reviews
Refactoring the Embden–Meyerhof–Parnas Pathway as a Whole of Portable GlucoBricks for Implantation of Glycolytic Modules in Gram-Negative Bacteria | ACS Synthetic Biology
Micromachines | Free Full-Text | Immuno-Acoustic Sorting of Disease-Specific Extracellular Vesicles by Acoustophoretic Force
Functionalization of Mesoporous Silica with a G-A-Mismatched dsDNA Chain for Efficient Identification and Selective Capturing of the MutY Protein | ACS Applied Materials & Interfaces
Decoding the Identification Mechanism of an SAM-III Riboswitch on Ligands through Multiple Independent Gaussian-Accelerated Molecular Dynamics Simulations | Journal of Chemical Information and Modeling
Microbiome and Human Health: Current Understanding, Engineering, and Enabling Technologies | Chemical Reviews
Peptidase Activation by a Leader Peptide-Bound RiPP Recognition Element | Biochemistry
IJMS | Free Full-Text | Exploration of the Shared Molecular Mechanisms between COVID-19 and Neurodegenerative Diseases through Bioinformatic Analysis
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A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria | Nature Communications
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Controlling Allosteric Networks in Proteins | Chemical Reviews
Structural Role of the First Four Transmembrane Helices in ZntA, a P1B-Type ATPase from Escherichia coli | Biochemistry
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The CopC Family: Structural and Bioinformatic Insights into a Diverse Group of Periplasmic Copper Binding Proteins | Biochemistry
Antibiotics | Free Full-Text | Computational Design of Inhibitors Targeting the Catalytic β Subunit of Escherichia coli FOF1-ATP Synthase
HER2 Kinase-Targeted Breast Cancer Therapy: Design, Synthesis, and In Vitro and In Vivo Evaluation of Novel Lapatinib Congeners as Selective and Potent HER2 Inhibitors with Favorable Metabolic Stability | Journal of Medicinal
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