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Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c00522
Abstract: In hybrid simulations, such as the QM/MM approach, the system is partitioned into regions that are treated at different levels of theory. The key question then becomes how to evaluate the interactions between particles on…
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Keywords:
theory;
elastic collision;
hybrid simulations;
time step ... See more keywords
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Published in 2022 at "IEEE Access"
DOI: 10.1109/access.2022.3150275
Abstract: In DNA computing, the design of DNA coding sequences is an important factor affecting the reliability of DNA computing. In different DNA sequence designs, suitable constraints should be selected and the sequence design should be…
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Keywords:
improved particle;
dna;
design;
elastic collision ... See more keywords