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Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.1c01214
Abstract: The accurate prediction of binding affinity between protein and small molecules with free energy methods, particularly the difference in binding affinities via relative binding free energy calculations, has undergone a dramatic increase in use and…
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Keywords:
calculated error;
affinity;
error performance;
experimental calculated ... See more keywords
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Published in 2023 at "Nanomaterials"
DOI: 10.3390/nano13071190
Abstract: The evaluation of cell elasticity is becoming increasingly significant, since it is now known that it impacts physiological mechanisms, such as stem cell differentiation and embryogenesis, as well as pathological processes, such as cancer invasiveness…
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Keywords:
cell mechanics;
impact experimental;
conditions cell;
mechanics ... See more keywords