Molecular mechanism of thiamine pyrophosphate import into mitochondria: a molecular simulation study.
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 9, p. 987, doi. 10.1007/s10822-021-00414-5
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- Article
Works matching IS 0920654X AND DT 2021 AND VI 35 AND IP 9
Results: 5
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The role of zinc finger linkers in zinc finger protein binding to DNA.
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 9, p. 973, doi. 10.1007/s10822-021-00413-6
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- Article
3
Quantum simulations of SARS-CoV-2 main protease M<sup>pro</sup> enable high-quality scoring of diverse ligands.
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 9, p. 963, doi. 10.1007/s10822-021-00412-7
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- Article
4
Stacking Gaussian processes to improve pKa predictions in the SAMPL7 challenge.
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 9, p. 953, doi. 10.1007/s10822-021-00411-8
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- Article
5
A theoretical approach for the acylation/deacylation mechanisms of avibactam in the reversible inhibition of KPC-2.
- Published in:
- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 9, p. 943, doi. 10.1007/s10822-021-00408-3
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- Article