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Covalent linkages between constituent blocks of macromolecules and ligands have been subject to inconsistent treatment during the model-building, refinement and deposition process. This may stem from a number of sources...

AceDRG CCP4 Monomer Library SARS-CoV-2 covalent linkage restraint dictionary Crystallography X-Ray Databases Protein Ligands Models Structural SARS-CoV-2 Viral Proteins

In organisms from all domains of life, multi-enzyme assemblies play central roles in defining transcript lifetimes and facilitating RNA-mediated regulation of gene expression. An assembly dedicated to such roles, known as the...

RNA condensates RNA metabolism RNA surveillance RNase E colloidal polymer Intrinsically Disordered Protein post-transcriptional gene regulation Ribonuclease riboregulation Catalytic Domain Cryoelectron Microscopy Electrophoretic Mobility Shift Assay Endoribonucleases Escherichia coli Escherichia coli Proteins Gene Expression Regulation Bacterial Intrinsically Disordered Proteins Models Structural Multienzyme Complexes Mutation Polyribonucleotide Nucleotidyltransferase RNA Helicases RNA processing Post-Transcriptional RNA Bacterial Ribonucleases Static Electricity Tomography

Marginal structural models (MSMs) with inverse probability weighted estimators (IPWEs) are widely used to estimate causal effects of treatment sequences on longitudinal outcomes in the presence of time-varying confounding and...

Calibration causal inference Covariate balancing dropout longitudinal data Propensity Score Antiretroviral Therapy Highly Active CD4 Lymphocyte Count Causality Models Statistical Models Structural Probability Propensity Score

Particle inhalation is an effective and rapid delivery method for a variety of pharmaceuticals, particularly bronchodilation drugs used for treating asthma and COPD. Conditions of relative humidity and temperature inside the...

Albuterol Pregnenediones Aerosols Spectrum Analysis Raman Metered Dose Inhalers humidity Temperature Particle Size wettability Models Structural Fluticasone Salmeterol Xinafoate

Autophagy involves engulfment of cytoplasmic contents by double-membraned autophagosomes, which ultimately fuse with lysosomes to enable degradation of their substrates. We recently proposed that the tubular-vesicular recycling...

DNM2 ITSN1 Rab11 autophagosome Autophagy centronuclear myopathy phagophore recycling endosome Adaptor Proteins Vesicular Transport Autophagosomes Autophagy Cell Membrane Dynamin II Endosomes HeLa Cells Humans Lysosomes Microtubule-Associated Proteins Mutation Myopathies Structural Congenital Protein Transport

Experimental structure determination can be accelerated with artificial intelligence (AI)-based structure-prediction methods such as AlphaFold. Here, an automatic procedure requiring only sequence information and...

Alphafold Artificial Intelligence Automated Structure Determination model building Artificial Intelligence Crystallography Databases Protein Models Structural

Artificial Intelligence model building Automated Structure Determination Alphafold Crystallography Models Structural Artificial Intelligence Databases Protein

cohort study Dementia Statins stroke Cohort Studies Dementia Humans Hydroxymethylglutaryl-CoA Reductase Inhibitors Models Structural Peptic ulcer Probability Retrospective Studies stroke