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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
1993 1
1999 1
2001 6
2002 1
2003 1
2004 1
2005 4
2006 4
2007 3
2009 1
2020 0
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22 results
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Page 1
Quantum mechanical and molecular dynamics simulations of ureases and Zn beta-lactamases.
Estiu G, Suárez D, Merz KM. Estiu G, et al. J Comput Chem. 2006 Sep;27(12):1240-62. doi: 10.1002/jcc.20411. J Comput Chem. 2006. PMID: 16773613 Review.
New developments in applying quantum mechanics to proteins.
Gogonea V, Suárez D, van der Vaart A, Merz KM Jr. Gogonea V, et al. Curr Opin Struct Biol. 2001 Apr;11(2):217-23. doi: 10.1016/s0959-440x(00)00193-7. Curr Opin Struct Biol. 2001. PMID: 11297931 Review.
Computational studies of the farnesyltransferase ternary complex part I: substrate binding.
Cui G, Wang B, Merz KM Jr. Cui G, et al. Biochemistry. 2005 Dec 20;44(50):16513-23. doi: 10.1021/bi051020m. Biochemistry. 2005. PMID: 16342942 Free PMC article.
Refinement of protein crystal structures using energy restraints derived from linear-scaling quantum mechanics.
Yu N, Yennawar HP, Merz KM Jr. Yu N, et al. Acta Crystallogr D Biol Crystallogr. 2005 Mar;61(Pt 3):322-32. doi: 10.1107/S0907444904033669. Epub 2005 Feb 24. Acta Crystallogr D Biol Crystallogr. 2005. PMID: 15735343
Exploring the role of the active site cysteine in human muscle creatine kinase.
Wang PF, Flynn AJ, Naor MM, Jensen JH, Cui G, Merz KM Jr, Kenyon GL, McLeish MJ. Wang PF, et al. Biochemistry. 2006 Sep 26;45(38):11464-72. doi: 10.1021/bi0607002. Biochemistry. 2006. PMID: 16981706 Free PMC article.
Computational studies of the farnesyltransferase ternary complex part II: the conformational activation of farnesyldiphosphate.
Cui G, Merz KM Jr. Cui G, et al. Biochemistry. 2007 Oct 30;46(43):12375-81. doi: 10.1021/bi701324t. Epub 2007 Oct 6. Biochemistry. 2007. PMID: 17918965 Free PMC article.
Insights into the acylation mechanism of class A beta-lactamases from molecular dynamics simulations of the TEM-1 enzyme complexed with benzylpenicillin.
Díaz N, Sordo TL, Merz KM Jr, Suárez D. Díaz N, et al. J Am Chem Soc. 2003 Jan 22;125(3):672-84. doi: 10.1021/ja027704o. J Am Chem Soc. 2003. PMID: 12526667
Molecular dynamics simulations of the dinuclear zinc-beta-lactamase from Bacteroides fragilis complexed with imipenem.
Suárez D, Díaz N, Merz KM Jr. Suárez D, et al. J Comput Chem. 2002 Dec;23(16):1587-600. doi: 10.1002/jcc.10157. J Comput Chem. 2002. PMID: 12395427
X-ray diffraction "fingerprinting" of DNA structure in solution for quantitative evaluation of molecular dynamics simulation.
Zuo X, Cui G, Merz KM Jr, Zhang L, Lewis FD, Tiede DM. Zuo X, et al. Proc Natl Acad Sci U S A. 2006 Mar 7;103(10):3534-9. doi: 10.1073/pnas.0600022103. Epub 2006 Feb 27. Proc Natl Acad Sci U S A. 2006. PMID: 16505363 Free PMC article.
Understanding the substrate selectivity and the product regioselectivity of Orf2-catalyzed aromatic prenylations.
Cui G, Li X, Merz KM Jr. Cui G, et al. Biochemistry. 2007 Feb 6;46(5):1303-11. doi: 10.1021/bi062076z. Biochemistry. 2007. PMID: 17260959
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