detach 发表于 2025-3-23 10:56:16
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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顶点 发表于 2025-3-24 06:23:43
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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变色龙 发表于 2025-3-24 22:39:08
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Irina S. Moreira,Miguel Machuqueiro,Joana MourãoIncludes cutting-edge methods and protocols.Provides step-by-step detail essential for reproducible results.Contains key notes and implementation advice from the experts