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BackgroundThe Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in… Expand The accuracy of atomistic biomolecular modeling and simulation studies depend on the accuracy of the input structures. Preparing… Expand Graphics processing units (GPUs) have traditionally been used in molecular modeling solely for visualization of molecular… Expand Many biologically interesting phenomena occur on a time scale that is too long to be studied by atomistic simulations. These… Expand Molecular mechanics simulations offer a computational approach to study the behavior of biomolecules at atomic detail, but such… Expand Bsoft is a software package written for image processing of electron micrographs, interpretation of reconstructions, molecular… Expand The superfamily of G-protein-coupled receptors (GPCRs) could be subclassified into 7 families (A, B, large N-terminal family B-7… Expand New protein parameters are reported for the all-atom empirical energy function in the CHARMM program. The parameter evaluation… Expand Because of their wide use in molecular modeling, methods to compute molecular surfaces have received a lot of interest in recent… Expand Numerous cannabinoids have been synthesized that are extremely potent in all of the behavioral assays conducted in our laboratory… Expand