Cui Q - Search Results

1

UO₂²⁺ uptake by proteins: understanding the binding features of the super uranyl binding protein and design of a protein with higher affinity.

Odoh SO, Bondarevsky GD, Karpus J, Cui Q, He C, Spezia R, Gagliardi L. Odoh SO, et al. Among authors: cui q. J Am Chem Soc. 2014 Dec 17;136(50):17484-94. doi: 10.1021/ja5087563. Epub 2014 Dec 4. J Am Chem Soc. 2014. PMID: 25411020

2

Quantum mechanics/molecular mechanics studies of triosephosphate isomerase-catalyzed reactions: effect of geometry and tunneling on proton-transfer rate constants.

Cui Q, Karplus M. Cui Q, et al. J Am Chem Soc. 2002 Mar 27;124(12):3093-124. doi: 10.1021/ja0118439. J Am Chem Soc. 2002. PMID: 11902900

3

Effects of temperature and salt concentration on the structural stability of human lymphotactin: insights from molecular simulations.

Formaneck MS, Ma L, Cui Q. Formaneck MS, et al. Among authors: cui q. J Am Chem Soc. 2006 Jul 26;128(29):9506-17. doi: 10.1021/ja061620o. J Am Chem Soc. 2006. PMID: 16848488 Free PMC article.

4

Activation mechanism of a signaling protein at atomic resolution from advanced computations.

Ma L, Cui Q. Ma L, et al. Among authors: cui q. J Am Chem Soc. 2007 Aug 22;129(33):10261-8. doi: 10.1021/ja073059f. Epub 2007 Jul 26. J Am Chem Soc. 2007. PMID: 17655236 Free PMC article.

5

Antibiotic deactivation by a dizinc beta-lactamase: mechanistic insights from QM/MM and DFT studies.

Xu D, Guo H, Cui Q. Xu D, et al. Among authors: cui q. J Am Chem Soc. 2007 Sep 5;129(35):10814-22. doi: 10.1021/ja072532m. Epub 2007 Aug 11. J Am Chem Soc. 2007. PMID: 17691780

6

Electronic properties and desolvation penalties of metal ions plus protein electrostatics dictate the metal binding affinity and selectivity in the copper efflux regulator.

Rao L, Cui Q, Xu X. Rao L, et al. Among authors: cui q. J Am Chem Soc. 2010 Dec 29;132(51):18092-102. doi: 10.1021/ja103742k. Epub 2010 Dec 3. J Am Chem Soc. 2010. PMID: 21128636

7

Proton storage site in bacteriorhodopsin: new insights from quantum mechanics/molecular mechanics simulations of microscopic pK(a) and infrared spectra.

Goyal P, Ghosh N, Phatak P, Clemens M, Gaus M, Elstner M, Cui Q. Goyal P, et al. Among authors: cui q. J Am Chem Soc. 2011 Sep 28;133(38):14981-97. doi: 10.1021/ja201568s. Epub 2011 Sep 6. J Am Chem Soc. 2011. PMID: 21761868 Free PMC article.

8

FTO-mediated formation of N6-hydroxymethyladenosine and N6-formyladenosine in mammalian RNA.

Fu Y, Jia G, Pang X, Wang RN, Wang X, Li CJ, Smemo S, Dai Q, Bailey KA, Nobrega MA, Han KL, Cui Q, He C. Fu Y, et al. Among authors: cui q. Nat Commun. 2013;4:1798. doi: 10.1038/ncomms2822. Nat Commun. 2013. PMID: 23653210 Free PMC article.

9

Stabilization of different types of transition states in a single enzyme active site: QM/MM analysis of enzymes in the alkaline phosphatase superfamily.

Hou G, Cui Q. Hou G, et al. Among authors: cui q. J Am Chem Soc. 2013 Jul 17;135(28):10457-69. doi: 10.1021/ja403293d. Epub 2013 Jul 9. J Am Chem Soc. 2013. PMID: 23786365 Free PMC article.

10

Leaving Group Ability Observably Affects Transition State Structure in a Single Enzyme Active Site.

Roston D, Demapan D, Cui Q. Roston D, et al. Among authors: cui q. J Am Chem Soc. 2016 Jun 15;138(23):7386-94. doi: 10.1021/jacs.6b03156. Epub 2016 Jun 2. J Am Chem Soc. 2016. PMID: 27186960 Free PMC article.

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