Investigation of the pH-dependent aggregation mechanisms of GCSF using low resolution protein characterization techniques and advanced molecular dynamics simulations.
第一作者:
Suk Kyu,Ko
第一单位:
Technical University of Denmark, Department of Chemistry, 2800 Kongens Lyngby, Denmark.
作者:
关键词
A3D, aggrescan3dAggregationCD, circular dichroismCG, coarse-grainedCOM, center of massCV, collective variableCoarse grained simulationsD0, infinite dilution diffusion coefficientDLS, dynamic light scatteringDSF, differential scanning fluorimetryESRF, European Synchrotron Radiation FacilityFES, free energy surfaceFF, force fieldGCSF, granulocyte-colony stimulating factorGranulocyte stimulating factorHDX, hydrogen deuterium exchangeMD, molecular dynamicsMolecular dynamicsNMR, nuclear magnetic resonancePDB, Protein Data BankPME, particle-mesh-EwaldPPI, protein-protein interactionSAP, spatial aggregation propensitySAXS, small-angle X-ray scatteringSIRAH, South American Initiative for a Rapid and Accurate HamiltonianSmall angle X-ray scatteringcMD, conventional molecular dynamicsr(H)0, infinite dilution values for the hydrodynamic radius
DOI
10.1016/j.csbj.2022.03.012
PMID
35386098
发布时间
2022-04-08
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