Amortized Template Matching of Molecular Conformations from Cryoelectron Microscopy Images Using Simulation-Based Inference

Information Science, Artificial Intelligence, Medicine, Medical Imaging, Life Sciences, Cell Biology, Biochemistry, Biophysics,
cryo-EM   biophysics   Bayesian inference   molecular modeling   template matching   deep learning   structural biology  

Accelerating Single-Molecule Structure Identification with Simulation-Based Inference — Research Report on “Amortized Template Matching of Molecular Conformations from Cryoelectron Microscopy Images using Simulation-Based Inference” Research Background and Significance In the fields of molecular biology and structural biology, understanding how bio...

DockEM: An Enhanced Method for Atomic-Scale Protein–Ligand Docking Refinement Leveraging Low-to-Medium Resolution Cryo-EM Density Maps

Chemistry, Medicinal Chemistry, Computational Chemistry, Life Sciences, Biochemistry, Biophysics,
protein-ligand docking   cryo-EM   molecular docking   drug screening   structural biology  

Academic Background and Research Motivation In recent years, protein–ligand docking has rapidly developed as a core technology for virtual drug screening and structure-based drug discovery. Despite improvements in drug discovery efficiency through large-scale high-throughput screening technologies, new drug development still faces high costs, long ...

In Situ Architecture of the Human Prohibitin Complex

Life Sciences, Cell Biology, Biophysics,
prohibitin complex   mitochondrial inner membrane   structural biology   cryo-electron tomography   molecular modeling  

Academic Background Mitochondria are the energy factories of cells, and the integrity of the mitochondrial inner membrane (MIM) is crucial for cellular function. Prohibitin (PHB) is a highly conserved protein family, consisting of two subtypes, PHB1 and PHB2, which play important roles in various cellular processes, including mitochondrial stress s...

Structural Basis of Antagonist Selectivity in Endothelin Receptors

Chemistry, Medicinal Chemistry, Medicine, Cardiovascular System, Life Sciences, Cell Biology, Biochemistry, Immunology,
antagonist   endothelin receptors   structural biology   drug design   vascular homeostasis  

Deciphering Antagonist Selectivity of Endothelin Receptors: Insights from Cryo-EM-Based Structural Studies Academic Background Endothelin (ET) is a potent vasoconstrictor peptide that plays a significant role in regulating cardiovascular functions. The endothelin family includes ET-1, ET-2, and ET-3, which regulate vascular tone and cardiovascular ...

Structural Basis of Psychedelic LSD Recognition at Dopamine D1 Receptor

Medicine, Pharmacy, Life Sciences, Cell Biology, Biochemistry, Biophysics,
psychedelic   LSD   dopamine D1 receptor   structural biology   GPCR  

Structural Basis of LSD Recognition in Dopamine D1 Receptors Research Background and Problem Statement LSD (lysergic acid diethylamide) is a well-known hallucinogen that primarily exerts profound cognitive and perceptual effects by acting on various neurotransmitter receptors, including serotonin (5-HT) receptors and dopamine receptors. The 5-HT2A ...