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Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling.
Int J Mol Sci. 2021 Mar 17;22(6):3078. doi: 10.3390/ijms22063078.
Int J Mol Sci. 2021.
PMID: 33802920
Free PMC article.
Ag-catalyzed azide alkyne cycloaddition: a DFT approach.
Boz E, Tüzün NŞ.
Boz E, et al.
Dalton Trans. 2016 Apr 7;45(13):5752-64. doi: 10.1039/c5dt04902d. Epub 2016 Mar 2.
Dalton Trans. 2016.
PMID: 26932753
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Computational investigation of the control of the thermodynamics and microkinetics of the reductive amination reaction by solvent coordination and a co-catalyst.
Boz E, Tüzün NŞ, Stein M.
Boz E, et al.
RSC Adv. 2018 Oct 30;8(64):36662-36674. doi: 10.1039/c8ra08135b. eCollection 2018 Oct 26.
RSC Adv. 2018.
PMID: 35558904
Free PMC article.
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