Umbrella Sampling Simulations Measure Switch Peptide Binding and Hydrophobic Patch Opening Free Energies in Cardiac Troponin
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DOI: 10.1021/acs.jcim.2c00508
Abstract: The cardiac troponin (cTn) complex is an important regulatory protein in heart contraction. Upon binding of Ca2+, cTn undergoes a conformational shift that allows the troponin I switch peptide (cTnISP) to be released from the… read more here.
Keywords: hydrophobic patch; umbrella sampling; switch peptide; troponin ... See more keywords