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  2. Protein–lipid interaction - Wikipedia

    en.wikipedia.org/wiki/Proteinlipid_interaction

    Protein–lipid interaction is the influence of membrane proteins on the lipid physical state or vice versa.. The questions which are relevant to understanding of the structure and function of the membrane are: 1) Do intrinsic membrane proteins bind tightly to lipids (see annular lipid shell), and what is the nature of the layer of lipids adjacent to the protein?

  3. Path integral molecular dynamics - Wikipedia

    en.wikipedia.org/wiki/Path_integral_molecular...

    The simulations done my PIMD can broadly characterize the biomolecular systems, covering the entire structure and organization of the membrane, including the permeability, protein-lipid interactions, along with "lipid-drug interactions, protein–ligand interactions, and protein structure and dynamics."

  4. Protein aggregation predictors - Wikipedia

    en.wikipedia.org/wiki/Protein_aggregation_predictors

    PASTA 2.0 [30] 2014 Web Server - PASTA 2.0: Secondary structure-related. Predicts the most aggregation-prone portions and the corresponding β-strand inter-molecular pairing for multiple input sequences. sequence top pairings and energies, mutations and protein-protein Amyloidogenic regions, energy, and beta-sheet orientation in aggregates

  5. Protein–ligand docking - Wikipedia

    en.wikipedia.org/wiki/Protein–ligand_docking

    There has been rapid development in computational ability to determine protein structure with programs such as AlphaFold, [2] and the demand for the corresponding protein-ligand docking predictions is driving implementation of software that can find accurate models. Once the protein folding can be predicted accurately along with how the ligands ...

  6. Protein–protein interaction prediction - Wikipedia

    en.wikipedia.org/wiki/Proteinprotein...

    Protein–protein interaction prediction is a field combining bioinformatics and structural biology in an attempt to identify and catalog physical interactions between pairs or groups of proteins. Understanding protein–protein interactions is important for the investigation of intracellular signaling pathways, modelling of protein complex ...

  7. List of protein structure prediction software - Wikipedia

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

    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.

  8. List of protein secondary structure prediction programs

    en.wikipedia.org/wiki/List_of_protein_secondary...

    List of notable protein secondary structure prediction programs. Name Method description Type Link Initial release RaptorX-SS8

  9. Protein design - Wikipedia

    en.wikipedia.org/wiki/Protein_design

    The design of protein–protein interactions must be highly specific because proteins can interact with a large number of proteins; successful design requires selective binders. Thus, protein design algorithms must be able to distinguish between on-target (or positive design) and off-target binding (or negative design).