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  2. List of protein structure prediction software - Wikipedia

    en.wikipedia.org/wiki/List_of_protein_structure...

    A unified interface for: Tertiary structure prediction/3D modelling, 3D model quality assessment, Intrinsic disorder prediction, Domain prediction, Prediction of protein-ligand binding residues Automated webserver and some downloadable programs RaptorX: remote homology detection, protein 3D modeling, binding site prediction

  3. Comparison of software for molecular mechanics modeling

    en.wikipedia.org/wiki/Comparison_of_software_for...

    Model builder Min MD MC REM QM Imp GPU Comments License Website AMBER [1] No Yes Yes Yes Yes Yes I Yes Yes High Performance MD, Comprehensive analysis tools Proprietary, Free open source: AMBER MD: Abalone: Yes Yes Yes Yes Yes Yes I Yes Yes Biomolecular simulations, protein folding. Proprietary, gratis, commercial Agile Molecule: ADF: Yes Yes ...

  4. Swiss-model - Wikipedia

    en.wikipedia.org/wiki/Swiss-model

    Swiss-model (stylized as SWISS-MODEL) is a structural bioinformatics web-server dedicated to homology modeling of 3D protein structures. [1] [2] As of 2024, homology modeling is the most accurate method to generate reliable three-dimensional protein structure models and is routinely used in many practical applications. Homology (or comparative ...

  5. AlphaFold - Wikipedia

    en.wikipedia.org/wiki/AlphaFold

    DeepMind is known to have trained the program on over 170,000 proteins from the Protein Data Bank, a public repository of protein sequences and structures.The program uses a form of attention network, a deep learning technique that focuses on having the AI identify parts of a larger problem, then piece it together to obtain the overall solution. [2]

  6. De novo protein structure prediction - Wikipedia

    en.wikipedia.org/wiki/De_novo_protein_structure...

    Namely, ESMFold is a newly developed large language model (LLM) for the prediction of protein structures based solely on their amino acid sequences. It can predict a 3D structure of a protein with atomic-level resolution with an input of a single amino acid sequence. [19]

  7. Homology modeling - Wikipedia

    en.wikipedia.org/wiki/Homology_modeling

    Homology model of the DHRS7B protein created with Swiss-model and rendered with PyMOL. Homology modeling, also known as comparative modeling of protein, refers to constructing an atomic-resolution model of the "target" protein from its amino acid sequence and an experimental three-dimensional structure of a related homologous protein (the "template").

  8. MODELLER - Wikipedia

    en.wikipedia.org/wiki/MODELLER

    Modeller, often stylized as MODELLER, is a computer program used for homology modeling to produce models of protein tertiary structures and quaternary structures (rarer). [2] [3] It implements a method inspired by nuclear magnetic resonance spectroscopy of proteins (protein NMR), termed satisfaction of spatial restraints, by which a set of geometrical criteria are used to create a probability ...

  9. CAMEO3D - Wikipedia

    en.wikipedia.org/wiki/CAMEO3D

    Continuous Automated Model EvaluatiOn (CAMEO) is a community-wide project to continuously evaluate the accuracy and reliability of protein structure prediction servers in a fully automated manner. [1] CAMEO is a continuous and fully automated complement to the bi-annual CASP experiment. [2]