Setiawan D - Search Results

1

Recent advances in automated protein design and its future challenges.

Setiawan D, Brender J, Zhang Y. Setiawan D, et al. Expert Opin Drug Discov. 2018 Jul;13(7):587-604. doi: 10.1080/17460441.2018.1465922. Epub 2018 Apr 25. Expert Opin Drug Discov. 2018. PMID: 29695210 Free PMC article. Review.

2

EvoDesign: Designing Protein-Protein Binding Interactions Using Evolutionary Interface Profiles in Conjunction with an Optimized Physical Energy Function.

Pearce R, Huang X, Setiawan D, Zhang Y. Pearce R, et al. Among authors: setiawan d. J Mol Biol. 2019 Jun 14;431(13):2467-2476. doi: 10.1016/j.jmb.2019.02.028. Epub 2019 Mar 7. J Mol Biol. 2019. PMID: 30851277 Free PMC article.

3

From strong to weak NF bonds: on the design of a new class of fluorinating agents.

Setiawan D , Sethio D , Cremer D , Kraka E . Setiawan D , et al. Phys Chem Chem Phys. 2018 Oct 7;20(37):23913-23927. doi: 10.1039/c8cp03843k. Epub 2018 Sep 12. Phys Chem Chem Phys. 2018. PMID: 30206587

4

Strength of the pnicogen bond in complexes involving group Va elements N, P, and As.

Setiawan D, Kraka E, Cremer D. Setiawan D, et al. J Phys Chem A. 2015 Mar 5;119(9):1642-56. doi: 10.1021/jp508270g. Epub 2014 Nov 7. J Phys Chem A. 2015. PMID: 25325889

5

Hidden Bond Anomalies: The Peculiar Case of the Fluorinated Amine Chalcogenides.

Setiawan D, Kraka E, Cremer D. Setiawan D, et al. J Phys Chem A. 2015 Sep 10;119(36):9541-56. doi: 10.1021/acs.jpca.5b05157. Epub 2015 Aug 26. J Phys Chem A. 2015. PMID: 26280987

6

Re-evaluation of the bond length-bond strength rule: The stronger bond is not always the shorter bond.

Kraka E, Setiawan D, Cremer D. Kraka E, et al. Among authors: setiawan d. J Comput Chem. 2016 Jan 5;37(1):130-42. doi: 10.1002/jcc.24207. Epub 2015 Oct 29. J Comput Chem. 2016. PMID: 26515027

7

Direct Measure of Metal-Ligand Bonding Replacing the Tolman Electronic Parameter.

Setiawan D, Kalescky R, Kraka E, Cremer D. Setiawan D, et al. Inorg Chem. 2016 Mar 7;55(5):2332-44. doi: 10.1021/acs.inorgchem.5b02711. Epub 2016 Feb 22. Inorg Chem. 2016. PMID: 26900632

8

Quantitative Assessment of Aromaticity and Antiaromaticity Utilizing Vibrational Spectroscopy.

Setiawan D, Kraka E, Cremer D. Setiawan D, et al. J Org Chem. 2016 Oct 21;81(20):9669-9686. doi: 10.1021/acs.joc.6b01761. Epub 2016 Sep 28. J Org Chem. 2016. PMID: 27635783

9

Correction to Direct Measure of Metal-Ligand Bonding Replacing the Tolman Electronic Parameter.

Setiawan D, Kalescky R, Kraka E, Cremer D. Setiawan D, et al. Inorg Chem. 2016 Apr 4;55(7):3713. doi: 10.1021/acs.inorgchem.6b00665. Epub 2016 Mar 23. Inorg Chem. 2016. PMID: 27008470 No abstract available.

10

A first principles study of fluorescence quenching in rhodamine B dimers: how can quenching occur in dimeric species?

Setiawan D, Kazaryan A, Martoprawiro MA, Filatov M. Setiawan D, et al. Phys Chem Chem Phys. 2010 Oct 7;12(37):11238-44. doi: 10.1039/c004573j. Epub 2010 Jul 30. Phys Chem Chem Phys. 2010. PMID: 20676414

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