LitCovid-sentences  

PMC:7605337 / 23875-25636 JSONTXT 7 Projects

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Id Subject Object Predicate Lexical cue
T142 0-100 Sentence denotes To identify the dominant motions in the nCOV-2019, SARS-COV, and all the mutants, PCA was performed.
T143 101-306 Sentence denotes Most of the combined motions were captured by the first ten eigenvectors generated from the last 400 ns for SARS-COV, nCOV-2019, and extended mutant systems and the last 200 ns for other nCOV-2019 mutants.
T144 307-421 Sentence denotes The percentage of the motions captured by the first three eigenvectors was 51% for nCOV-2019 and 68% for SARS-COV.
T145 422-515 Sentence denotes In all mutations, more than 50% of the motions were captured by the first three eigenvectors.
T146 516-676 Sentence denotes The first few PC’s describe the highest motions in a protein which are related to a functional motion such as binding or unbinding of protein from the receptor.
T147 677-876 Sentence denotes The first three eigenvectors were used to calculate the aFEL using the last 400 ns of simulation for nCOV-2019 and SARS-COV as shown in Figure 5, which displays the variance in conformational motion.
T148 877-975 Sentence denotes SARS-COV showed two distinct low free energy states shown as blue separated by a metastable state.
T149 976-1077 Sentence denotes There is a clear separation between the two regions by a free energy barrier of about 6–7.5 kcal/mol.
T150 1078-1193 Sentence denotes These two states correspond to the loop motions in the L3 as well as the motion in C-terminal residues of SARS-COV.
T151 1194-1342 Sentence denotes The L3 motion in nCOV-2019 is stabilized by the H-bond between N487 on RBD and Y83 on ACE2 as well as a π-stacking interaction between F486 and Y83.
T152 1343-1539 Sentence denotes It is evident that the nCOV-2019 RBD is more stable than SASR-COV RBD and exists in one conformation whereas the SARS-COV interface fluctuates and the aFEL is separated into two different regions.
T153 1540-1761 Sentence denotes The first two eigenvectors were used to calculate and plot the aFEL as a function of first two principal components using the last 200 ns of the simulation for mutant systems. aFEL for other systems is shown in Figure S4.