Titlebook: Computational Design of Membrane Proteins; Irina S. Moreira,Miguel Machuqueiro,Joana Mour?o Book 2021 Springer Science+Business Media, LLC

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In Silico Prediction of the Binding, Folding, Insertion, and Overall Stability of Membrane-Active Peations: prior knowledge of the system, understanding the strengths and weaknesses of molecular mechanics force fields, proper construction and equilibration of the system, realistically estimating both experimental and computational timescales, and leveraging analysis to make direct comparisons to e

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https://doi.org/10.1007/978-3-663-13026-0on protocols for preparing routine biomolecular systems containing proteins, including both a globular protein in aqueous solvent and a transmembrane model peptide in a phospholipid bilayer. Details and example input files are provided for preparation of the simulation system using CHARMM, performin

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Irina S. Moreira,Miguel Machuqueiro,Joana Mour?oIncludes cutting-edge methods and protocols.Provides step-by-step detail essential for reproducible results.Contains key notes and implementation advice from the experts