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Here, we have designed an algorithm that facilitates molecular dynamic analyses within brain slices.
Interestingly, our molecular dynamic analyses suggest that S. mansoni class I glucose transporters are not able to transport glucose.
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These data, together with molecular dynamic simulation analyses presented in Figure 7, suggest that optimal DNA binding and the subsequent dominant-negative action of hnRNPC1/C2 on transcription occurs with species-specific tetramerization patterns involving the C1 and C2 isoforms.
Molecular dynamics analyses provided information on the dynamic behavior of protein-substrate interactions and on the role played by the solvent in RpfB function.
Molecular dynamic simulations and energetic analyses suggested a direct role for CRAM-1 in disrupting proteostatic clearance of misfolded and aggregated proteins, by forming stable complexes with (poly)ubiqui-tin modifications that target dysfunctional proteins for degradation.
Further, we carried out molecular dynamic simulations (MDS) to analyse the molecular and structural basis of predicted disease associated nsSNPs.
We consequently did some docking analyses with final molecular dynamic studies between what we found the prognosis factors of PCNA and CDK1, Ki-67 and CDK1, and p27 and CDK1 which all showed stable docking in Figure 7 and their docking score is also showed in by ZDOCK program.
L. C. and F.L.C. designed and L. C. performed computational calculations using enhanced-sampling molecular dynamic simulations (parallel-tempering metadynamics) and analysed the data.
In numerical studies, some excellent molecular dynamic works have been carried out recently to analyse the possible heat transfer mechanisms between nanoparticle and fluid [18,19], such as Chiavazzo's research on nanofins [20,21].
Despite current pitfalls, the disease-in-a-dish approach allows dynamic analyses of target cells, offering a unique opportunity to dissect cellular and molecular alterations in a controlled environment.
We resolve this problem here via a combination of careful statistical analyses of high-resolution transmission electron microscope images of pulse-annealed bulk amorphous samples and detailed molecular dynamic simulations of crystallization in deep undercooling conditions.
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