A component analysis of the free energies of folding of 35 proteins: A consensus view on the thermodynamics of folding at the molecular level.

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作者： Debarati,DasGupta ^[1] ; Varun,Mandalaparthy ^[2] ; Bhyravabhotla,Jayaram ^[1]

作者单位： Department of Chemistry, Indian Institute of Technology, New Delhi, 110016, India. ^[1] Supercomputing Facility for Bioinformatics and Computational Biology, Indian Institute of Technology, New Delhi, 110016, India. ^[2] Kusuma School of Biological Sciences, Indian Institute of Technology, New Delhi, 110016, India. ^[3]

关键词 analysis on crystal structures fold specificity in folding thermodynamics free energy calculations using MMGBSA and MMPBSA protein folding energetics

主题词结晶学, X线(Crystallography, X-Ray);分子动力学模拟(Molecular Dynamics Simulation);点突变(Point Mutation);蛋白质折叠(Protein Folding);蛋白质解折叠(Protein Unfolding);蛋白质类(Proteins);热力学(Thermodynamics)

DOI 10.1002/jcc.25072

PMID 28940242

发布时间 2019-06-24

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