Fang D - Search Results

1

Small Molecule Chelators Reveal That Iron Starvation Inhibits Late Stages of Bacterial Cytokinesis.

Santos TMA, Lammers MG, Zhou M, Sparks IL, Rajendran M, Fang D, De Jesus CLY, Carneiro GFR, Cui Q, Weibel DB. Santos TMA, et al. Among authors: fang d. ACS Chem Biol. 2018 Jan 19;13(1):235-246. doi: 10.1021/acschembio.7b00560. Epub 2017 Dec 20. ACS Chem Biol. 2018. PMID: 29227619 Free PMC article.

2

Quantifying the Electrostatics of Polycation-Lipid Bilayer Interactions.

Troiano JM, McGeachy AC, Olenick LL, Fang D, Liang D, Hong J, Kuech TR, Caudill ER, Pedersen JA, Cui Q, Geiger FM. Troiano JM, et al. Among authors: fang d. J Am Chem Soc. 2017 Apr 26;139(16):5808-5816. doi: 10.1021/jacs.6b12887. Epub 2017 Apr 14. J Am Chem Soc. 2017. PMID: 28358209

3

Analysis of the conformational properties of amine ligands at the gold/water interface with QM, MM and QM/MM simulations.

Liang D , Hong J , Fang D , Bennett JW , Mason SE , Hamers RJ , Cui Q . Liang D , et al. Among authors: fang d. Phys Chem Chem Phys. 2018 Jan 31;20(5):3349-3362. doi: 10.1039/c7cp06709g. Phys Chem Chem Phys. 2018. PMID: 29226924

4

QM/MM free energy simulations: recent progress and challenges.

Lu X, Fang D, Ito S, Okamoto Y, Ovchinnikov V, Cui Q. Lu X, et al. Among authors: fang d. Mol Simul. 2016;42(13):1056-1078. doi: 10.1080/08927022.2015.1132317. Epub 2016 Jul 5. Mol Simul. 2016. PMID: 27563170 Free PMC article.

5

Analysis of Phosphoryl-Transfer Enzymes with QM/MM Free Energy Simulations.

Roston D, Lu X, Fang D, Demapan D, Cui Q. Roston D, et al. Among authors: fang d. Methods Enzymol. 2018;607:53-90. doi: 10.1016/bs.mie.2018.05.005. Epub 2018 Aug 14. Methods Enzymol. 2018. PMID: 30149869 Free PMC article.

6

A computational investigation on the substrate preference of ten-eleven-translocation 2 (TET2).

Lu J, Hu L, Cheng J, Fang D, Wang C, Yu K, Jiang H, Cui Q, Xu Y, Luo C. Lu J, et al. Among authors: fang d. Phys Chem Chem Phys. 2016 Feb 14;18(6):4728-38. doi: 10.1039/c5cp07266b. Phys Chem Chem Phys. 2016. PMID: 26799843

7

Structural insight into substrate preference for TET-mediated oxidation.

Hu L, Lu J, Cheng J, Rao Q, Li Z, Hou H, Lou Z, Zhang L, Li W, Gong W, Liu M, Sun C, Yin X, Li J, Tan X, Wang P, Wang Y, Fang D, Cui Q, Yang P, He C, Jiang H, Luo C, Xu Y. Hu L, et al. Among authors: fang d. Nature. 2015 Nov 5;527(7576):118-22. doi: 10.1038/nature15713. Epub 2015 Oct 28. Nature. 2015. PMID: 26524525

8

Synthesis and Reactions of 3d Metal Complexes with the Bulky Alkoxide Ligand [OC(t)Bu2Ph].

Bellow JA, Yousif M, Fang D, Kratz EG, Cisneros GA, Groysman S. Bellow JA, et al. Among authors: fang d. Inorg Chem. 2015 Jun 15;54(12):5624-33. doi: 10.1021/acs.inorgchem.5b00795. Epub 2015 Jun 4. Inorg Chem. 2015. PMID: 26043187

9

A new smoothing function to introduce long-range electrostatic effects in QM/MM calculations.

Fang D, Duke RE, Cisneros GA. Fang D, et al. J Chem Phys. 2015 Jul 28;143(4):044103. doi: 10.1063/1.4926652. J Chem Phys. 2015. PMID: 26233103 Free PMC article.

10

Alternative Pathway for the Reaction Catalyzed by DNA Dealkylase AlkB from Ab Initio QM/MM Calculations.

Fang D, Cisneros GA. Fang D, et al. J Chem Theory Comput. 2014 Nov 11;10(11):5136-5148. doi: 10.1021/ct500572t. Epub 2014 Sep 25. J Chem Theory Comput. 2014. PMID: 25400523 Free PMC article.

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