Karplus M - Search Results

1

Triosephosphate isomerase: a theoretical comparison of alternative pathways.

Cui Q, Karplus M. Cui Q, et al. Among authors: karplus m. J Am Chem Soc. 2001 Mar 14;123(10):2284-90. doi: 10.1021/ja002886c. J Am Chem Soc. 2001. PMID: 11456876

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. Among authors: karplus m. J Am Chem Soc. 2002 Mar 27;124(12):3093-124. doi: 10.1021/ja0118439. J Am Chem Soc. 2002. PMID: 11902900

3

Catalysis and specificity in enzymes: a study of triosephosphate isomerase and comparison with methyl glyoxal synthase.

Cui Q, Karplus M. Cui Q, et al. Among authors: karplus m. Adv Protein Chem. 2003;66:315-72. doi: 10.1016/s0065-3233(03)66008-0. Adv Protein Chem. 2003. PMID: 14631822 Review. No abstract available.

4

Substrate conformational transitions in the active site of chorismate mutase: their role in the catalytic mechanism.

Guo H, Cui Q, Lipscomb WN, Karplus M. Guo H, et al. Among authors: karplus m. Proc Natl Acad Sci U S A. 2001 Jul 31;98(16):9032-7. doi: 10.1073/pnas.141230998. Proc Natl Acad Sci U S A. 2001. PMID: 11481470 Free PMC article.

5

The missing link between thermodynamics and structure in F1-ATPase.

Yang W, Gao YQ, Cui Q, Ma J, Karplus M. Yang W, et al. Among authors: karplus m. Proc Natl Acad Sci U S A. 2003 Feb 4;100(3):874-9. doi: 10.1073/pnas.0337432100. Epub 2003 Jan 27. Proc Natl Acad Sci U S A. 2003. PMID: 12552084 Free PMC article.

6

Modeling zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: applications to structural and energetic analysis.

Elstner M, Cui Q, Munih P, Kaxiras E, Frauenheim T, Karplus M. Elstner M, et al. Among authors: karplus m. J Comput Chem. 2003 Apr 15;24(5):565-81. doi: 10.1002/jcc.10201. J Comput Chem. 2003. PMID: 12632471

7

Understanding the role of active-site residues in chorismate mutase catalysis from molecular-dynamics simulations.

Guo H, Cui Q, Lipscomb WN, Karplus M. Guo H, et al. Among authors: karplus m. Angew Chem Int Ed Engl. 2003 Apr 4;42(13):1508-11. doi: 10.1002/anie.200219878. Angew Chem Int Ed Engl. 2003. PMID: 12698486 Review. No abstract available.

8

Allostery and cooperativity revisited.

Cui Q, Karplus M. Cui Q, et al. Among authors: karplus m. Protein Sci. 2008 Aug;17(8):1295-307. doi: 10.1110/ps.03259908. Epub 2008 Jun 17. Protein Sci. 2008. PMID: 18560010 Free PMC article. Review.

9

Computer simulation and analysis of the reaction pathway of triosephosphate isomerase.

Bash PA, Field MJ, Davenport RC, Petsko GA, Ringe D, Karplus M. Bash PA, et al. Among authors: karplus m. Biochemistry. 1991 Jun 18;30(24):5826-32. doi: 10.1021/bi00238a003. Biochemistry. 1991. PMID: 2043624

10

A dynamic analysis of the rotation mechanism for conformational change in F(1)-ATPase.

Ma J, Flynn TC, Cui Q, Leslie AG, Walker JE, Karplus M. Ma J, et al. Among authors: karplus m. Structure. 2002 Jul;10(7):921-31. doi: 10.1016/s0969-2126(02)00789-x. Structure. 2002. PMID: 12121647 Free article.

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