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Simulations Plus, Inc. develops absorption, distribution, metabolism, excretion, and toxicity modeling and simulation software for the pharmaceutical and biotechnology, industrial chemicals, cosmetics, food ingredients, and herbicide industries.
Constituent amino-acids can be analyzed to predict secondary, tertiary and quaternary protein structure. This list of protein structure prediction software summarizes notable used software tools in protein structure prediction, including homology modeling, protein threading, ab initio methods, secondary structure prediction, and transmembrane helix and signal peptide prediction.
This list of protein subcellular localisation prediction tools includes software, databases, and web services that are used for protein subcellular localization prediction. Some tools are included that are commonly used to infer location through predicted structural properties, such as signal peptide or transmembrane helices , and these tools ...
MD (Meta-Disorder predictor) [19] Regions of different "types"; for example, unstructured loops and regions containing few stable intra-chain contacts A neural-network based meta-predictor that uses different sources of information predominantly obtained from orthogonal approaches Yes IUPforest-L: Long disordered regions in a set of proteins
Name Description Knots [Note 1]Links References trRosettaRNA: trRosettaRNA is an algorithm for automated prediction of RNA 3D structure. It builds the RNA structure by Rosetta energy minimization, with deep learning restraints from a transformer network (RNAformer). trRosettaRNA has been validated in blind tests, including CASP15 and RNA-Puzzles, which suggests that the automated predictions ...
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Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
Both binaries and source code are available for SageMath from the download page. If SageMath is built from source code, many of the included libraries such as OpenBLAS, FLINT, GAP (computer algebra system), and NTL will be tuned and optimized for that computer, taking into account the number of processors, the size of their caches, whether there is hardware support for SSE instructions, etc.