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Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics package.
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- Journal of Computational Chemistry, 2018, v. 39, n. 19, p. 1354, doi. 10.1002/jcc.25187
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- Article
An ACE2 Triple Decoy that neutralizes SARS-CoV-2 shows enhanced affinity for virus variants.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-91809-9
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- Publication type:
- Article