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2018 | 2 |
2021 | 3 |
2024 | 0 |
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Page 1
Efficient Amino Acid Conformer Search with Bayesian Optimization.
J Chem Theory Comput. 2021 Mar 9;17(3):1955-1966. doi: 10.1021/acs.jctc.0c00648. Epub 2021 Feb 12.
J Chem Theory Comput. 2021.
PMID: 33577313
Free PMC article.
Silver-Stabilized Guanine Duplex: Structural and Optical Properties.
Chen X, Makkonen E, Golze D, Lopez-Acevedo O.
Chen X, et al. Among authors: makkonen e.
J Phys Chem Lett. 2018 Aug 16;9(16):4789-4794. doi: 10.1021/acs.jpclett.8b01908. Epub 2018 Aug 9.
J Phys Chem Lett. 2018.
PMID: 30079734
Free article.
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Real-time time-dependent density functional theory implementation of electronic circular dichroism applied to nanoscale metal-organic clusters.
Makkonen E, Rossi TP, Larsen AH, Lopez-Acevedo O, Rinke P, Kuisma M, Chen X.
Makkonen E, et al.
J Chem Phys. 2021 Mar 21;154(11):114102. doi: 10.1063/5.0038904.
J Chem Phys. 2021.
PMID: 33752382
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Optical Properties of Silver-Mediated DNA from Molecular Dynamics and Time Dependent Density Functional Theory.
Makkonen E, Rinke P, Lopez-Acevedo O, Chen X.
Makkonen E, et al.
Int J Mol Sci. 2018 Aug 9;19(8):2346. doi: 10.3390/ijms19082346.
Int J Mol Sci. 2018.
PMID: 30096923
Free PMC article.
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Absolute configuration retention of a configurationally labile ligand during dynamic processes of thiolate protected gold clusters.
Wang Y, Makkonen E, Chen X, Bürgi T.
Wang Y, et al. Among authors: makkonen e.
Chem Sci. 2021 Jun 4;12(27):9413-9419. doi: 10.1039/d1sc01702k. eCollection 2021 Jul 14.
Chem Sci. 2021.
PMID: 34349915
Free PMC article.
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