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This paper introduces ISOLDE, a new software package designed to provide an intuitive environment for high-fidelity interactive remodelling/refinement of macromolecular models into electron-density maps. ISOLDE combines...

ISOLDE model building Molecular dynamics real-space refinement Visualization Computer Simulation Cryoelectron Microscopy Data Accuracy Fungal Proteins Macromolecular Substances Minichromosome Maintenance Proteins Models Molecular Molecular Dynamics Simulation Software Validation Studies as Topic

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

A procedure termed `morphing' for improving a model after it has been placed in the crystallographic cell by molecular replacement has recently been developed. Morphing consists of applying a smooth deformation to a model to...

loop-building model building model–map correlation morphing sequence assignment Amidohydrolases Amino Acid Sequence Amino Acid Substitution Computer Simulation Corynebacterium glutamicum Crystallography X-Ray Models Molecular Neisseria meningitidis Software Templates Genetic